SCHEMBL187169

SCHEMBL187169

N#Cc1c[nH]c2cc(F)ccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.56
IMPDH1 P20839 1/20 0.56
GPR84 Q9NQS5 1/20 0.53
HTR2A P28223 1/20 0.47
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
HASPIN Q8TF76 1/20 0.46
TDO2 P48775 6/20 0.44
MPO P05164 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL5414238 0.86 GPR84 (0.47) IMPDH2IMPDH1GPR84HTR2ACCNT1
SCHEMBL3646740 0.85 IMPDH2 (0.56) IMPDH2IMPDH1GPR84HTR2ACCNT1
SCHEMBL28037230 0.79 IMPDH2 (0.51) IMPDH2IMPDH1GPR84CCNT1CDK9
SCHEMBL10095346 0.78 IMPDH2 (0.56) IMPDH2IMPDH1GPR84CCNT1CDK9
SCHEMBL13181942 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL394651 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL578797 0.78 IMPDH2 (0.56) IMPDH2IMPDH1GPR84CCNT1CDK9
SCHEMBL28774173 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL6600237 0.78 IMPDH2 (0.56) IMPDH2IMPDH1HTR2ACCNT1CDK9
SCHEMBL30665808 0.78 IMPDH2 (0.56) IMPDH2IMPDH1GPR84CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105026393-A Cdk9 kinase inhibitors ABBVIE INC 2015-11-04 CN disclosed
US-8993616-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-8993616-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-8993616-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-8829040-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-8829040-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-8829040-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-09-22 US disclosed
US-8003647-B2 (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 US disclosed
US-8003647-B2 (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 US disclosed
US-8003647-B2 (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 US disclosed
CN-101219986-B 3-cyanogen radical indole compounds and its synthetic method SHANGHAI CHEMPARTNER CO LTD 2011-08-10 CN disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2133332-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 EP disclosed
CN-101219986-A 3-cyanogen radical indole compounds and its synthetic method SHANGHAI CHEMPARTNER CO LTD (CN) 2008-07-16 CN 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-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 IMPDH2 117/4885IMPDH1 211/4885GPR84 2193/4885
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 IMPDH2 117/4885IMPDH1 211/4885GPR84 2193/4885
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 IMPDH2 117/4885IMPDH1 211/4885GPR84 2193/4885

“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.