SCHEMBL2518374

SCHEMBL2518374

Cn1cc(C(=O)Nc2c[c]ccc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
RAB9A P51151 7/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36
MIF P14174 1/20 0.36
APP P05067 1/20 0.35
NAMPT P43490 1/20 0.35
GPR6 P46095 1/20 0.35
AKR1C3 P42330 1/20 0.35
MAPK8 P45983 1/20 0.35
LMNA P02545 2/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 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
SCHEMBL2520698 0.76 RAB9A (0.54) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL2515326 0.74 NAMPT (0.42) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28904532 0.74 GRM4 (0.57) RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2514318 0.72 SMN1; SMN2 (0.63) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL2517122 0.72 SMN1; SMN2 (0.63) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL26986076 0.71 KDM4E (0.48) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2516231 0.71 NAMPT (0.64) RAB9ANPC1SMN1; SMN2POLBNAMPT
SCHEMBL2514323 0.71 NAMPT (0.42) RAB9AMEN1KMT2ASMN1; SMN2NAMPT
SCHEMBL2517050 0.70 KMT2A (0.48) MEN1KMT2ANAMPTLMNAAURKA
SCHEMBL15004553 0.70 BAZ2B (0.46) IDO1RAB9ANPC1TP53MAPK8

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-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US 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 (4 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 IDO1 2066/4885RAB9A 855/4885MEN1 2551/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 IDO1 2066/4885RAB9A 855/4885MEN1 2551/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 IDO1 2066/4885RAB9A 855/4885MEN1 2551/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 IDO1 2375/4885RAB9A 724/4885MEN1 2426/4885

“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.