SCHEMBL1656050

SCHEMBL1656050

COc1c(OCCCN(C)C)ccc2c1N=C(NC(=O)c1ccc(N)nc1)N1CCN=C21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.33
MCHR1 Q99705 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CHEK2 O96017 1/20 0.33
FYN P06241 1/20 0.33
CACNA1H O95180 3/20 0.32
CACNA1B Q00975 2/20 0.32
HTR1D P28221 3/20 0.32
HTR1B P28222 3/20 0.32
HTR2A P28223 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29475026 1.00 ATR (0.33) ATRMCHR1HDAC1HDAC3HDAC2
SCHEMBL1655754 0.92 MAPT (0.34) ATRMCHR1CHEK2FYNCACNA1H
SCHEMBL29475091 0.92 MAPT (0.34) ATRMCHR1CHEK2FYNCACNA1H
SCHEMBL2257257 0.89 PIK3C2A (0.32) PIK3C2A
SCHEMBL1656717 0.88 MET (0.42) ATRKDM4EALDH1A1MAPTMAPK1
SCHEMBL1655434 0.88 HTR1D (0.37) MCHR1HDAC1HTR1DHTR1BHTR2A
SCHEMBL1655336 0.88 BRAF (0.33) ATRCACNA1HCACNA1BHTR1DHTR1B
SCHEMBL29475087 0.88 BRAF (0.33) ATRCACNA1HCACNA1BHTR1DHTR1B
SCHEMBL2515631 0.87 MCHR1 (0.35) ATRMCHR1HDAC1HDAC3HDAC2
SCHEMBL1655555 0.87 PIK3CD (0.41) HDAC1FYNHTR2AALDH1A1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3843743-A1 COMBINATION OF PI3K-INHIBITORS AND TARGETED THORIUM CONJUGATES Bayer AS (NO) 2021-07-07 EP claimed
US-20210187134-A1 COMBINATION OF PI3K-INHIBITORS AND TARGETED THORIUM CONJUGATES BAYER AS (NO) 2021-06-24 US claimed
WO-2020164997-A1 COMBINATION OF PI3K-INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-20 WO claimed
EP-3645005-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST Bayer Consumer Care AG (CH) 2020-05-06 EP claimed
WO-2020043617-A1 COMBINATION OF PI3K-INHIBITORS AND TARGETED THORIUM CONJUGATES BAYER AS (NO) 2020-03-05 WO claimed
US-20190255063-A1 COMBINATION OF PI3K-INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-22 US claimed
WO-2019002068-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST BAYER CONSUMER CARE AG (CH) 2019-01-03 WO claimed
EP-2983669-B1 USE OF SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINES FOR TREATING LYMPHOMAS Bayer Pharma AG (DE) 2018-10-24 EP claimed
US-RE46856-E1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US claimed
US-20180042929-A1 USE OF SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-15 US claimed
US-20140243295-A1 USE OF SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-28 US claimed
US-20130261113-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION 2013-10-03 US claimed
US-8466283-B2 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-18 US claimed
EP-2344164-A1 USE OF SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINES FOR THE TREATMENT OF MYELOMA Bayer Schering Pharma Aktiengesellschaft (DE) 2011-07-20 EP claimed
US-20110083984-A1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-14 US claimed
WO-2010034414-A1 USE OF SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINES FOR THE TREATMENT OF MYELOMA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-01 WO claimed
EP-2168582-A1 Combinations of substituted 2,3-dihydroimidazo[1,2-c]quinazolines Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
EP-2168583-A1 Use of substituted 2,3-dihydroimidazo[1,2-c]quinazolines for the treatment of myeloma Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
EP-2096919-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-09 EP claimed
WO-2008070150-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130261113-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS PIK3CA, PIK3CD, PIK3CB ATR 921/4885MCHR1 3140/4885HDAC1 764/4885
US-20210187134-A1 COMBINATION OF PI3K-INHIBITORS AND TARGETED THORIUM CONJUGATES PIK3CA, PIK3CD, PIK3CB ATR 346/4885MCHR1 4258/4885HDAC1 445/4885
US-20140243295-A1 USE OF SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINES BRCA1, PIK3CA, PTEN ATR 954/4885MCHR1 4769/4885HDAC1 436/4885
US-20180042929-A1 USE OF SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINES PIK3R4, PIK3R5, PIK3C2B ATR 830/4885MCHR1 3513/4885HDAC1 1958/4885
US-20190255063-A1 COMBINATION OF PI3K-INHIBITORS BCL9L, BCL9, MALT1 ATR 473/4885MCHR1 4137/4885HDAC1 894/4885
US-20110083984-A1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis PIK3CA, PIK3CD, PIK3CB ATR 921/4885MCHR1 3140/4885HDAC1 764/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.