SCHEMBL1883873

SCHEMBL1883873

O=C(CBr)c1ccncc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4C Q9H3R0 4/20 0.40
KDM4E B2RXH2 3/20 0.40
KDM6B O15054 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4A O75164 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSK3B P49841 7/20 0.39
PTPN1 P18031 3/20 0.38
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL31438505 1.00 CCNC (0.41) CCNCCDK8ALDH1A1KDM4CKDM4E
SCHEMBL18672315 0.83 CCNC (0.44) CCNCCDK8ALDH1A1KDM4CKDM4E
SCHEMBL27850798 0.83 KDM4C (0.41) CCNCCDK8ALDH1A1KDM4CKDM4E
SCHEMBL4185590 0.79 PTPN1 (0.41) ALDH1A1KDM4CKDM4EKDM6BTDP1
SCHEMBL29701774 0.79 PTPN1 (0.41) ALDH1A1KDM4CKDM4EKDM6BTDP1
SCHEMBL1889779 0.79 TDP1 (0.46) CCNCCDK8ALDH1A1KDM4CKDM4E
SCHEMBL22286141 0.79 GSK3B (0.41) CCNCCDK8ALDH1A1KDM4CKDM4E
SCHEMBL15696794 0.79 CCNC (0.37) CCNCCDK8ALDH1A1KDM4CKDM4E
SCHEMBL17190018 0.79 CCNC (0.37) CCNCCDK8ALDH1A1KDM4CKDM4E
SCHEMBL16684319 0.78 KDM4C (0.41) ALDH1A1KDM4CKDM4EKDM6BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 US disclosed
EP-4185588-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS Janssen Pharmaceutica NV (BE) 2023-05-31 EP disclosed
CN-116134035-A 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2023-05-16 CN disclosed
EP-2917214-B1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-08-28 EP disclosed
EP-2917214-B1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-08-28 EP disclosed
US-9604980-B2 Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-28 US disclosed
US-9604980-B2 Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-28 US disclosed
US-9604980-B2 Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-28 US disclosed
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-10-22 US disclosed
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-10-22 US disclosed
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-10-22 US disclosed
EP-2917214-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2015-09-16 EP disclosed
WO-2014072220-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-05-15 WO disclosed
WO-2014072220-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-05-15 WO disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 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 (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-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 CCNC 2162/4885CDK8 2193/4885ALDH1A1 1737/4885
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 CCNC 4251/4885CDK8 631/4885ALDH1A1 2661/4885
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, MAP3K8, MAP3K1 CCNC 866/4885CDK8 82/4885ALDH1A1 3230/4885

“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.