SCHEMBL18256972

SCHEMBL18256972

Nc1ccc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.54
KDR P35968 3/20 0.50
ALDH1A1 P00352 2/20 0.50
RET P07949 2/20 0.50
KIT P10721 2/20 0.50
FLT3 P36888 2/20 0.50
PDGFRA P16234 1/20 0.50
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
EGFR P00533 2/20 0.47
AXL P30530 4/20 0.46
MERTK Q12866 3/20 0.46
GAA P10253 1/20 0.45
HDAC1 Q13547 1/20 0.45
AURKA O14965 1/20 0.45
RIPK2 O43353 1/20 0.45
ABCB11 O95342 1/20 0.45
ABL1 P00519 1/20 0.45
ERBB2 P04626 1/20 0.45
NTRK1 P04629 1/20 0.45

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
SCHEMBL12468984 0.91 ALDH1A1 (0.53) METKDRALDH1A1RETKIT
4-Aminophenol SCHEMBL374608 0.87 MET (0.46) METKDRALDH1A1RETKIT
SCHEMBL19026688 0.87 MET (0.51) METKDRALDH1A1RETKIT
SCHEMBL4398555 0.85 GAA (0.53) METKDRALDH1A1RETKIT
SCHEMBL407809 0.85 ALDH1A1 (0.56) METKDRALDH1A1RETKIT
SCHEMBL558092 0.85 POLB (0.55) METKDRRAB9AEGFRAXL
Water SCHEMBL2458178 0.83 ALDH1A1 (0.55) METKDRALDH1A1RETKIT
SCHEMBL13115623 0.83 ALDH1A1 (0.63) METKDRALDH1A1RETKIT
SCHEMBL21299310 0.83 ALDH1A1 (0.55) METKDRALDH1A1RETKIT
SCHEMBL10202155 0.83 EGFR (0.50) METKDRALDH1A1RETKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299369-B1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-11-11 EP disclosed
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 US disclosed
WO-2016184434-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2016-11-24 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-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK MET 1/4885KDR 210/4885ALDH1A1 2733/4885

“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.