SCHEMBL4882691

SCHEMBL4882691

O=CN1CCN(Cc2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.51
KDM4E B2RXH2 4/20 0.51
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.49
CCR2 P41597 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TRPV6 Q9H1D0 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.47
HSD11B1 P28845 1/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
HIF1A Q16665 1/20 0.47
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
USP2 O75604 1/20 0.46

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
Bromide SCHEMBL10180902 0.98 KDM4E (0.50) LSSKDM4ETSHRPOLBCCR2
SCHEMBL511084 0.95 CCR2 (0.56) LSSKDM4ETSHRPOLBCCR2
Pyridine SCHEMBL28099010 0.88 SIGMAR1 (0.58) KDM4ETSHRPOLBSIGMAR1ALDH1A1
SCHEMBL28269086 0.84 LSS (0.66) LSSKDM4ETSHRPOLBCCR2
SCHEMBL1134938 0.83 SIGMAR1 (0.72) POLBSIGMAR1KMT2AALDH1A1
SCHEMBL4886381 0.80 CHRNB2 (0.66) KDM4ETRPV6ALDH1A1CASP1CASP4
SCHEMBL7421573 0.80 SIGMAR1 (0.67) LSSKDM4ESIGMAR1MEN1KMT2A
SCHEMBL2325343 0.79 LMNA (0.68) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL7422143 0.79 MAPT (0.53) KDM4EMEN1KMT2A
SCHEMBL7223925 0.79 LMNA (0.61) POLBSIGMAR1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102007100-A Compounds and compositions as modulators of GPR119 activity IRM LLC 2011-04-06 CN claimed
EP-3471729-B1 ISOXAZOLMETHYLTHIO-, THIENYLMETHYLTHIO- AND THIAZOMETHYLTHIO-DERIVATIVES FOR USE IN THE TREATMENT OF CANCER; VIRAL INFECTIONS; THROMBOTIC EVENTS OR PLATELET AGGREGATION UNIV RUTGERS (US) 2023-02-22 EP disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 CN disclosed
CN-102007100-A Compounds and compositions as modulators of GPR119 activity IRM LLC 2011-04-06 CN disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (3 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-20150133425-A1 THIENOPYRIMIDINES TYMP, DPYD, TYMS LSS 821/4885KDM4E 2290/4885TSHR 3301/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 LSS 1948/4885KDM4E 2869/4885TSHR 3666/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 LSS 1948/4885KDM4E 2869/4885TSHR 3666/4885

“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.