SCHEMBL17274658

SCHEMBL17274658

C(#Cc1cc2c(N[C@@H]3CCNC3)ncnc2[nH]1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.49
RPS6KB1 P23443 8/20 0.47
CSF1R P07333 1/20 0.45
PDPK1 O15530 4/20 0.44
CYP1A2 P05177 6/20 0.44
CLK4 Q9HAZ1 5/20 0.44
CYP2C19 P33261 4/20 0.44
HSD17B10 Q99714 3/20 0.44
AURKA O14965 4/20 0.41
CYP2D6 P10635 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHEK1 O14757 2/20 0.40
HRH4 Q9H3N8 1/20 0.39
CHEK2 O96017 2/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL17274660 1.00 PRMT5 (0.49) PRMT5RPS6KB1CSF1RPDPK1CYP1A2
SCHEMBL17282991 0.86 RPS6KB1 (0.45) PRMT5RPS6KB1CSF1RPDPK1CYP1A2
SCHEMBL17274863 0.86 PRMT5 (0.52) PRMT5RPS6KB1CSF1RPDPK1CYP1A2
SCHEMBL17274895 0.78 PAK1 (0.42) CSF1R
SCHEMBL17274891 0.78 PAK1 (0.42) CSF1R
SCHEMBL17274857 0.75 JAK3 (0.54)
SCHEMBL17274859 0.75 JAK3 (0.54)
SCHEMBL17274902 0.74 JAK3 (0.61)
SCHEMBL17274904 0.74 JAK3 (0.61)
SCHEMBL17274798 0.73 AHR (0.53) PRMT5MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed
EP-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed
US-10144737-B2 Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-12-04 US disclosed
US-20170114063-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-04-27 US disclosed
US-20170114063-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-04-27 US disclosed
US-20170114063-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-04-27 US disclosed
EP-3145512-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-03-29 EP disclosed
WO-2015178955-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2015-11-26 WO disclosed
WO-2015178955-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2015-11-26 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 (2 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-20170114063-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS BTK, BCL9, LCK PRMT5 984/4885RPS6KB1 180/4885CSF1R 567/4885
US-10144737-B2 Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors BTK, BCL9, LCK PRMT5 984/4885RPS6KB1 180/4885CSF1R 567/4885

“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.