SCHEMBL30979897

SCHEMBL30979897

COc1ccc2cnc(N)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.57
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NCF1 P14598 1/20 0.50
HPGDS O60760 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPK10 P53779 1/20 0.48
PTK2B Q14289 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
CSNK1D P48730 1/20 0.47

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
Hydrochloric Acid SCHEMBL28269991 0.84 NCF1 (0.57) EGFRMAPTHTTKDM4EALDH1A1
SCHEMBL12361591 0.80 EGFR (0.59) EGFRKDM4EALDH1A1NCF1HPGDS
Hydrochloric Acid SCHEMBL7229406 0.80 CCR1 (0.49) MAPTHTTKMT2ATP53TSHR
SCHEMBL12764703 0.79 EGFR (0.57) EGFRKDM4EALDH1A1NCF1HPGDS
SCHEMBL28280976 0.79 EGFR (0.57) EGFRKDM4EALDH1A1NCF1HPGDS
SCHEMBL1632721 0.79 EGFR (0.57) EGFRKDM4EALDH1A1HPGDSKMT2A
SCHEMBL1633917 0.79 ALDH1A1 (0.59) EGFRKDM4EALDH1A1NCF1HPGDS
SCHEMBL28282206 0.79 EGFR (0.57) EGFRKDM4EALDH1A1NCF1HPGDS
SCHEMBL30979891 0.78 ROCK1 (0.44) EGFRNCF1HPGDSCSNK1DCSNK1E
Hydrochloric Acid SCHEMBL28061626 0.77 EGFR (0.56) EGFRKDM4EALDH1A1NCF1HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-07-25 US claimed

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-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF ERBB2, EGFR, ERBB3 EGFR 2/4885MAPT 3248/4885HTT 1327/4885

“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.