SCHEMBL19987764

SCHEMBL19987764

CN1CCN(c2cnc3c(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)ccnc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.45
AXL P30530 7/20 0.42
MET P08581 9/20 0.36
KDR P35968 2/20 0.35
RET P07949 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK8 P45983 1/20 0.34

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
SCHEMBL20478187 0.91 MET (0.36) BRAFAXLMETKDRRET
SCHEMBL20478190 0.91 BRAF (0.45) BRAFAXLMETKDRRET
SCHEMBL19987723 0.85 MET (0.42) BRAFAXLMETKDRRET
SCHEMBL19987755 0.85 MET (0.36) AXLMETKDRRETKIT
SCHEMBL19987763 0.84 MET (0.44) AXLMETKDRRETKIT
SCHEMBL19987715 0.82 MET (0.36) BRAFAXLMETKDRRET
SCHEMBL19987713 0.80 MET (0.42) BRAFAXLMETKDRRET
SCHEMBL18256819 0.80 AXL (0.61) BRAFAXLMETKDRRET
SCHEMBL3114486 0.80 MET (0.41) BRAFAXLMETKDRRET
SCHEMBL19987748 0.80 MET (0.44) AXLMETKDRRETKIT

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 6 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
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 13/4885AXL 212/4885MET 1/4885
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK BRAF 13/4885AXL 212/4885MET 1/4885

“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.