SCHEMBL6479741

SCHEMBL6479741

Cn1c(C(F)F)nc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
LMNA P02545 3/20 0.58
KMT2A Q03164 3/20 0.55
CYP2D6 P10635 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ATM Q13315 1/20 0.52
HTT P42858 3/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3C2B O00750 1/20 0.47
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47

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
SCHEMBL1691699 0.82 LMNA (0.60) KDM4ELMNAKMT2ACYP2D6SMN1; SMN2
SCHEMBL2678538 0.82 LMNA (0.60) KDM4ELMNAKMT2ACYP2D6SMN1; SMN2
SCHEMBL19102158 0.81 POLB (0.59) KDM4ELMNAKMT2ACYP2D6SMN1; SMN2
SCHEMBL15023835 0.81 LMNA (0.84) KDM4ELMNAKMT2ACYP2D6SMN1; SMN2
SCHEMBL31463657 0.81 LMNA (0.84) KDM4ELMNAKMT2ACYP2D6SMN1; SMN2
SCHEMBL12545817 0.80 CYP2D6 (0.55) KDM4ELMNAKMT2ACYP2D6SMN1; SMN2
SCHEMBL12915262 0.79 KDM4E (0.57) KDM4ELMNAKMT2ACYP2D6SMN1; SMN2
SCHEMBL1520483 0.79 SMN1; SMN2 (0.58) KDM4ELMNAKMT2ACYP2D6SMN1; SMN2
SCHEMBL11697197 0.79 TDP1 (0.67) KDM4ELMNAKMT2ACYP2D6SMN1; SMN2
SCHEMBL16790661 0.79 TDP1 (0.67) KDM4ELMNAKMT2ACYP2D6SMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10912779-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways ASANA BIOSCIENCES, LLC (US) 2021-02-09 US disclosed
US-10869872-B2 2020-12-22 US disclosed
EP-3277687-B1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES OR CANCER Celon Pharma Sa (PL) 2019-10-30 EP disclosed
WO-2019100743-A1 PARP-1 AND PI3K DUAL TARGET INHIBITOR COMPRISING BENZOFURAN 中国药科大学 2019-05-31 WO disclosed
US-20190151327-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC 2019-05-23 US disclosed
EP-2984088-B1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES LLC (US) 2019-03-20 EP disclosed
US-10226468-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways ASANA BIOSCIENCES, LLC (US) 2019-03-12 US disclosed
EP-3052504-B1 CONFORMATIONALLY RESTRICTED PI3K AND MTOR INHIBITORS UNIV BASEL (CH) 2019-02-06 EP disclosed
US-20170290838-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC 2017-10-12 US disclosed
US-9757382-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways ASANA BIOSCIENCES, LLC (US) 2017-09-12 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-20170027953-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC (US) 2017-02-02 US disclosed
US-9556203-B2 Conformationally restricted P13K and mTOR inhibitors PIQUR THERAPEUTICS AG (CH) 2017-01-31 US disclosed
US-9556203-B2 Conformationally restricted P13K and mTOR inhibitors PIQUR THERAPEUTICS AG (CH) 2017-01-31 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20160244463-A1 CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS TORQUR AG (CH) 2016-08-25 US disclosed
US-20160244463-A1 CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS TORQUR AG (CH) 2016-08-25 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed

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

For each of this compound's patents that has machine-readable text (9 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-20190151327-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS NRAS, KRAS, BRAF KDM4E 386/4885LMNA 4307/4885KMT2A 698/4885
US-20170290838-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS NRAS, KRAS, BRAF KDM4E 386/4885LMNA 4307/4885KMT2A 698/4885
US-10869872-B2 NRAS, KRAS, BRAF KDM4E 293/4885LMNA 4406/4885KMT2A 643/4885
US-20170027953-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS NRAS, KRAS, BRAF KDM4E 386/4885LMNA 4307/4885KMT2A 698/4885
US-10226468-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways NRAS, KRAS, BRAF KDM4E 386/4885LMNA 4307/4885KMT2A 698/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885LMNA 3182/4885KMT2A 2804/4885
US-20160244463-A1 CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS MTOR, RICTOR, PIK3R4 KDM4E 572/4885LMNA 2271/4885KMT2A 2474/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885LMNA 3182/4885KMT2A 2804/4885
US-10912779-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways NRAS, KRAS, BRAF KDM4E 386/4885LMNA 4307/4885KMT2A 698/4885

“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.