SCHEMBL12468216

SCHEMBL12468216

O=Cn1ccnc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
PLAA Q9Y263 1/20 0.38
KDR P35968 7/20 0.38
CHEK1 O14757 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
LIMK1 P53667 1/20 0.38
MAPK14 Q16539 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALPG P10696 1/20 0.38
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
PRKACA P17612 1/20 0.37
CDK8 P49336 1/20 0.37
MAP2K1 Q02750 1/20 0.37
ACVR1 Q04771 1/20 0.37
MAP4K2 Q12851 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL30808504 0.85 ESR1 (0.36) ESR1PLAAKDRCHEK1KDM4E
SCHEMBL8464633 0.85 MAPK9 (0.41) ESR1KDRALDH1A1MAPTDYRK1A
SCHEMBL27744512 0.83 TNKS (0.39) KDRKDM4EALDH1A1MAPTBRD4
SCHEMBL27890716 0.81 MEN1 (0.39) KDM4EALDH1A1MAPK14KMT2A
SCHEMBL27890672 0.81 IDO1 (0.41) ESR1KDM4EALDH1A1MAPTACVR1
SCHEMBL27890677 0.81 ALDH1A1 (0.42) KDM4EALDH1A1MAPTMAP4K4BRD4
SCHEMBL2866599 0.81 GAA (0.51) ESR1PLAAKDRCHEK1KDM4E
SCHEMBL14921747 0.81 ESR1 (0.42) ESR1PLAAKDRCHEK1KDM4E
SCHEMBL10782643 0.78 ESR1 (0.41) ESR1KDRCHEK1KDM4EALDH1A1
SCHEMBL10782654 0.78 ESR1 (0.41) ESR1KDRCHEK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396505-A Methods of treating inflammation 维鲁公司 2024-01-12 CN disclosed
CN-115379835-A Methods of treating coronavirus 维鲁公司 2022-11-22 CN disclosed
EP-4061349-A1 METHODS OF TREATING CORONAVIRUS Veru Inc. (US) 2022-09-28 EP disclosed
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
CN-112512522-A Compounds for the treatment of triple negative breast and ovarian cancer 田纳西大学研究基金会 2021-03-16 CN disclosed
CN-112437664-A Compounds for the treatment of pancreatic cancer 田纳西大学研究基金会 2021-03-02 CN disclosed
EP-2608671-B1 COMPOUNDS FOR TREATMENT OF CANCER GTX INC (US) 2018-12-12 EP disclosed
US-20180325872-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-11-15 US disclosed
US-10022356-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-07-17 US disclosed
WO-2014138279-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-09-12 WO disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
CN-102690264-B 2-phenyl-3-substituted-imidazo[1,2-a]pyridine derivatives and preparation method thereof UNIVTAISHAN MEDICAL 2014-07-02 CN disclosed
CN-103442566-A Compounds for treatment of cancer GTX INC 2013-12-11 CN disclosed
WO-2012027481-A9 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2013-10-10 WO disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
EP-2608671-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-07-03 EP disclosed
CN-102883607-A Compounds for the treatment of cancer GTX INC (US) 2013-01-16 CN disclosed
CN-102690264-A 2-phenyl-3-substituted-imidazo[1,2-a]pyridine derivatives and preparation method thereof UNIVTAISHAN MEDICAL 2012-09-26 CN disclosed
WO-2012027481-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2012-03-01 WO 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 (5 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-20180325872-A1 COMPOUNDS FOR TREATMENT OF CANCER BRAF, NRAS, RAF1 ESR1 3985/4885PLAA 4514/4885KDR 1047/4885
US-10022356-B2 Compounds for treatment of cancer BRAF, NRAS, RAF1 ESR1 3985/4885PLAA 4514/4885KDR 1047/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ESR1 1342/4885PLAA 2916/4885KDR 2787/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 ESR1 1342/4885PLAA 2916/4885KDR 2787/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ESR1 1342/4885PLAA 2916/4885KDR 2787/4885

“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.