SCHEMBL4083929

SCHEMBL4083929

CCOC(=N)c1ccc2[nH]nc(-c3ccc4ccc(OC)cc4c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.43
FLT3 P36888 2/20 0.42
TTK P33981 5/20 0.42
MAPK8 P45983 3/20 0.42
ITK Q08881 5/20 0.42
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
KDR P35968 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.40
MAP2K4 P45985 2/20 0.40
MAPKAPK3 Q16644 2/20 0.40
MAPK6 Q16659 2/20 0.40
LRRK2 Q5S007 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39

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
SCHEMBL4043448 0.98 BTK (0.45) BTKFLT3TTKMAPK8ITK
Hydrochloric Acid SCHEMBL5397824 0.97 BTK (0.44) BTKFLT3TTKMAPK8ITK
Hydrochloric Acid SCHEMBL4083323 0.97 BTK (0.44) BTKFLT3TTKMAPK8ITK
SCHEMBL4084769 0.89 TTK (0.48) TTKMAPK8CDK4CCNA2CCND1
SCHEMBL4079542 0.85 TTK (0.43) BTKFLT3TTKMAPK8KDR
Hydrochloric Acid SCHEMBL4083919 0.85 MAP2K4 (0.47) TTKMAPK8CDK4CCNA2CCND1
Hydrochloric Acid SCHEMBL4079950 0.84 MAP2K4 (0.42) FLT3TTKMAPK8ITKMAPK1
Hydrochloric Acid SCHEMBL4090684 0.84 MAP2K4 (0.42) TTKMAPK8RAB9AMAPK1MAP2K4
SCHEMBL4093310 0.83 FLT3 (0.39) FLT3TTKMAPK8CDK4CCNA2
SCHEMBL4089601 0.83 BRAF (0.44) FLT3TTKMAPK8KDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 BTK 548/4885FLT3 1140/4885TTK 401/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 BTK 593/4885FLT3 1162/4885TTK 377/4885

“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.