SCHEMBL19987734

SCHEMBL19987734

CC(C)N1CCC(n2cc(-c3cc4nccc(Oc5ccc(N(C(=O)C6(C(N)=O)CC6)c6ccc(F)cc6)cc5F)c4cn3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.41
ALK Q9UM73 8/20 0.41
MET P08581 7/20 0.37
KDR P35968 3/20 0.37
MERTK Q12866 1/20 0.35
KCNH2 Q12809 3/20 0.34
RIPK3 Q9Y572 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
RIPK1 Q13546 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
SCHEMBL19987703 0.90 ALK (0.52) AXLALKMETKDRKCNH2
SCHEMBL19987718 0.88 AXL (0.40) AXLALKMETKDRMERTK
SCHEMBL19987737 0.87 AXL (0.45) AXLALKMETKDRMERTK
SCHEMBL19987730 0.84 AXL (0.40) AXLALKMETKDRMERTK
SCHEMBL18256885 0.84 MET (0.56) AXLALKMETKDRMERTK
SCHEMBL20478185 0.82 AXL (0.43) AXLMETKDRMERTKKCNH2
SCHEMBL20478189 0.81 MET (0.42) AXLMETKDRMERTKKCNH2
SCHEMBL19987740 0.81 AXL (0.42) AXLMETKDRMERTKKCNH2
SCHEMBL19987750 0.80 AXL (0.43) AXLMETKDRMERTKKCNH2
SCHEMBL29729024 0.80 AXL (0.43) AXLMETKDRMERTKKCNH2

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-B1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-11-11 EP disclosed
CN-107709320-B Pyrido-nitrogen heterocyclic compound and preparation method and application thereof 中国科学院上海药物研究所 2020-11-06 CN 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 AXL 212/4885ALK 6/4885MET 1/4885
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK AXL 212/4885ALK 6/4885MET 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.