SCHEMBL19987706

SCHEMBL19987706

NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ccnc4ncc(NCCCN5CCOCC5)nc34)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.43
KDR P35968 7/20 0.43
MAP4K1 Q92918 2/20 0.43
AXL P30530 2/20 0.43
PLK4 O00444 1/20 0.43
STK25 O00506 1/20 0.43
CIT O14578 1/20 0.43
AURKA O14965 1/20 0.43
CHUK O15111 1/20 0.43
MUSK O15146 1/20 0.43
EPHB6 O15197 1/20 0.43
MAPK13 O15264 1/20 0.43
MAP3K13 O43283 1/20 0.43
DAPK3 O43293 1/20 0.43
MAP3K7 O43318 1/20 0.43
RIPK2 O43353 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
PAK3 O75914 1/20 0.43
CDKL5 O76039 1/20 0.43

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
SCHEMBL19987699 0.95 MET (0.43) METKDRMAP4K1AXLPLK4
SCHEMBL19987704 0.89 MET (0.46) METKDRMAP4K1AXLPLK4
SCHEMBL19987722 0.87 MET (0.42) METKDRMAP4K1AXLPLK4
SCHEMBL19987733 0.85 MET (0.46) METKDRMAP4K1AXLPLK4
SCHEMBL19987723 0.84 MET (0.42) METKDRMAP4K1AXLPLK4
SCHEMBL18256902 0.83 MET (0.61) METKDRMAP4K1AXLPLK4
SCHEMBL19987713 0.83 MET (0.42) METKDRMAP4K1AXLPLK4
SCHEMBL3101771 0.80 MET (0.44) METKDRMAP4K1AXLPLK4
SCHEMBL20478190 0.80 BRAF (0.45) METKDRMAP4K1AXLPLK4
SCHEMBL19987715 0.80 MET (0.36) METKDRMAP4K1AXLPLK4

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 MET 1/4885KDR 210/4885MAP4K1 87/4885
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK MET 1/4885KDR 210/4885MAP4K1 87/4885

“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.