SCHEMBL187599

SCHEMBL187599

CCOC(=O)c1ccnc(-n2cc(C#N)c3ccccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
PIK3CA P42336 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ELANE P08246 3/20 0.44
JMJD6 Q6NYC1 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL12309491 0.84 MAPT (0.52) MAPTKDM4EHTTHSD17B10ELANE
SCHEMBL187767 0.83
SCHEMBL187541 0.83 KDM4E (0.56) MAPTKDM4EELANEPOLBALDH1A1
SCHEMBL12670684 0.80 KDM4E (0.58) MAPTKDM4EELANE
SCHEMBL187069 0.78 MAPT (0.52) MAPTKDM4EHTTELANEPOLB
SCHEMBL3079251 0.76 JMJD6 (0.53) PIK3CAKDM4EHTTJMJD6ALDH1A1
SCHEMBL187838 0.75 MAPT (0.51) MAPTKDM4EELANEPOLBALDH1A1
SCHEMBL11937947 0.75 PIK3CA (0.45) PIK3CAJMJD6
SCHEMBL11937957 0.75 PIK3CA (0.41) PIK3CAHTTHSD17B10JMJD6
SCHEMBL11937943 0.74 PIK3CA (0.49) PIK3CAHTTHSD17B10JMJD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130252955-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2013-09-26 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-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-09-22 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
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

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

For each of this compound's patents that has machine-readable text (4 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 MAPT 4787/4885PIK3CA 4867/4885KDM4E 399/4885
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 MAPT 4787/4885PIK3CA 4867/4885KDM4E 399/4885
US-20130252955-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 MAPT 4787/4885PIK3CA 4867/4885KDM4E 399/4885
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 MAPT 4787/4885PIK3CA 4867/4885KDM4E 399/4885

“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.