SCHEMBL19987727

SCHEMBL19987727

NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ccnc4ncc(=O)[nH]c34)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.41
MET P08581 8/20 0.40
KDR P35968 2/20 0.39
RET P07949 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
AXL P30530 3/20 0.36
TYRO3 Q06418 2/20 0.36
MERTK Q12866 2/20 0.36

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
SCHEMBL19987721 0.87 MET (0.42) BRAFMETKDRRETKIT
SCHEMBL19987748 0.82 MET (0.44) METKDRRETKITPDGFRA
SCHEMBL3097883 0.81 FLT3 (0.43) METKDRRETKITPDGFRA
SCHEMBL19987736 0.81 MET (0.49) METKDRRETKITPDGFRA
SCHEMBL17222156 0.80 MET (0.42) BRAFMETKDRRETKIT
SCHEMBL19987763 0.80 MET (0.44) METKDRRETKITPDGFRA
SCHEMBL17222176 0.79 MET (0.48) METKDRRETKITPDGFRA
SCHEMBL4817745 0.79 MET (0.54) METKDRKITFLT3
SCHEMBL19987774 0.79 MET (0.46) METKDRRETKITPDGFRA
SCHEMBL3114486 0.78 MET (0.41) BRAFMETKDRRETKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20180244667-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-08-30 US claimed
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP claimed
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
US-20180244667-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-08-30 US disclosed
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP 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-20180244667-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF MET, MERTK, DMPK BRAF 13/4885MET 1/4885KDR 210/4885
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK BRAF 13/4885MET 1/4885KDR 210/4885

“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.