SCHEMBL4968519

SCHEMBL4968519

COC(=O)c1cccc(CC#N)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
LMNA P02545 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A4 P31645 1/20 0.44
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 2/20 0.41
CFTR P13569 1/20 0.40
KMT2A Q03164 4/20 0.40
MAPK10 P53779 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
PTPRC P08575 1/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
PTK2B Q14289 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
SCHEMBL2427784 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10LMNASLC6A3
SCHEMBL29548152 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10LMNASLC6A3
SCHEMBL24529118 0.82 MRGPRX4 (0.51) ALDH1A1KDM4EHSD17B10MRGPRX4LMNA
SCHEMBL28844005 0.82 MRGPRX4 (0.46) ALDH1A1HSD17B10MRGPRX4KMT2AMEN1
SCHEMBL30280757 0.82 MRGPRX4 (0.51) ALDH1A1KDM4EHSD17B10MRGPRX4LMNA
SCHEMBL4324495 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10LMNASLC6A3
SCHEMBL2192561 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MRGPRX4LMNA
SCHEMBL2619294 0.81 MRGPRX4 (0.50) ALDH1A1KDM4EHSD17B10MRGPRX4LMNA
SCHEMBL4443811 0.81 MRGPRX4 (0.50) ALDH1A1KDM4EHSD17B10MRGPRX4LMNA
SCHEMBL1052962 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10MRGPRX4LMNA

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-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 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 (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-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them VEGFA, TUBB3, TUBA3C ALDH1A1 2180/4885KDM4E 3185/4885HSD17B10 1180/4885

“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.