SCHEMBL19222014

SCHEMBL19222014

Cc1ccc2cnc(O)nn12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10259326 0.76 CHEK1 (0.35) KDM4EALDH1A1
SCHEMBL10267153 0.74 MEN1 (0.36) KDM4EALDH1A1L3MBTL1
SCHEMBL24198345 0.73
SCHEMBL16542598 0.73 AR (0.32)
SCHEMBL10259414 0.73 IRAK4 (0.33) KDM4EALDH1A1L3MBTL1
SCHEMBL16542597 0.67 ALDH1A1 (0.38) KDM4EALDH1A1
SCHEMBL5663279 0.63 NPC1 (0.47) ALDH1A1L3MBTL1
SCHEMBL18239674 0.63 ALDH1A1 (0.31) ALDH1A1
SCHEMBL25469353 0.62 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2508471 0.61 KDM4E (0.36) KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3202767-B1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2019-04-03 EP disclosed
US-20170296537-A1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEROF AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-10-19 US disclosed
US-20170296537-A1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEROF AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-10-19 US disclosed
EP-3202767-A1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2017-08-09 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 (1 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-20170296537-A1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEROF AND MEDICAL USE THEREOF EGFR, ERBB2, ERBB4 KDM4E 3819/4885ALDH1A1 1383/4885L3MBTL1 4723/4885

“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.