SCHEMBL19987703

SCHEMBL19987703

NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ccnc4cc(-c5cnn(C6CCNCC6)c5)ncc34)c(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.52
KCNH2 Q12809 3/20 0.44
RIPK3 Q9Y572 1/20 0.42
MET P08581 2/20 0.38
AXL P30530 2/20 0.37
KDR P35968 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
GRK5 P34947 2/20 0.37
GRK2 P25098 1/20 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
SCHEMBL19987734 0.90 AXL (0.41) ALKKCNH2RIPK3METAXL
SCHEMBL19987737 0.88 AXL (0.45) ALKRIPK3METAXLKDR
SCHEMBL19987718 0.86 AXL (0.40) ALKRIPK3METAXLKDR
SCHEMBL19987730 0.86 AXL (0.40) ALKRIPK3METAXLKDR
SCHEMBL20478185 0.84 AXL (0.43) KCNH2RIPK3METAXLKDR
SCHEMBL19987750 0.84 AXL (0.43) KCNH2RIPK3METAXLKDR
SCHEMBL29729024 0.84 AXL (0.43) KCNH2RIPK3METAXLKDR
SCHEMBL20478189 0.84 MET (0.42) KCNH2RIPK3METAXLKDR
SCHEMBL19987740 0.84 AXL (0.42) KCNH2RIPK3METAXLKDR
SCHEMBL18256883 0.83 MET (0.57) ALKRIPK3METAXLKDR

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 8 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 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 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
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 ALK 6/4885KCNH2 2676/4885RIPK3 1024/4885
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK ALK 6/4885KCNH2 2676/4885RIPK3 1024/4885

“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.