SCHEMBL5452368

SCHEMBL5452368

COc1ccc(Cn2c(Br)nc3c(Cl)ncnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
PDE1B Q01064 6/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE10A Q9Y233 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
KMT2A Q03164 1/20 0.41
PNP P00491 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5452386 0.87 ALDH1A1 (0.51) ADORA2AADORA1PDE1BALDH1A1LMNA
SCHEMBL5451833 0.86 PDE10A (0.61) PDE1BALDH1A1LMNASMN1; SMN2PDE10A
SCHEMBL17283025 0.85 ALDH1A1 (0.49) ADORA2AADORA1PDE1BALDH1A1LMNA
SCHEMBL6078154 0.84 ALDH1A1 (0.48) PDE1BALDH1A1LMNASMN1; SMN2PDE10A
SCHEMBL29976787 0.82 PDE1B (0.47) ADORA2AADORA1PDE1BALDH1A1PDE10A
SCHEMBL21174200 0.79 TLR7 (0.57) PDE1BALDH1A1LMNASMN1; SMN2PDE10A
SCHEMBL5465848 0.79 ADORA2A (0.52) ADORA2AADORA1PDE1BALDH1A1PDE10A
SCHEMBL17274869 0.76 PDE10A (0.54) ADORA2AADORA1PDE1BALDH1A1LMNA
SCHEMBL5465357 0.75 HPGD (0.64) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL18341924 0.74 ALDH1A1 (0.46) PDE1BALDH1A1LMNASMN1; SMN2PDE10A

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 10 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
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US 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-20170114063-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS BTK, BCL9, LCK ADORA2A 4464/4885ADORA1 4804/4885PDE1B 1811/4885
US-20070203159-A1 Purine compounds PNP, UMPS, TYMP ADORA2A 96/4885ADORA1 149/4885PDE1B 3646/4885
US-10144737-B2 Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors BTK, BCL9, LCK ADORA2A 4464/4885ADORA1 4804/4885PDE1B 1811/4885

“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.