SCHEMBL142143

SCHEMBL142143

Fc1cccc2[nH]nc(-c3cc4ccccc4[nH]3)c12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 16/20 0.61
CHEK1 O14757 2/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
FGFR1 P11362 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
KDR P35968 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
SCHEMBL141237 0.82 ITK (0.61) ITKCHEK1NPC1RAB9AFGFR1
SCHEMBL29470244 0.76 ITK (1.00) ITKCHEK1
SCHEMBL145584 0.76 ITK (1.00) ITKCHEK1
SCHEMBL141981 0.75 ITK (1.00) ITK
SCHEMBL27968541 0.74 TTK (0.56) CHEK1AURKAAURKBNPC1RAB9A
SCHEMBL1459874 0.74 RAB9A (0.55) ITKCHEK1AURKAAURKBNPC1
SCHEMBL8638212 0.74 ITK (0.60) ITKCHEK1AURKAAURKBNPC1
SCHEMBL143141 0.72 ITK (0.74) ITKCHEK1AURKAAURKBFGFR1
SCHEMBL18426821 0.72 ITK (1.00) ITKCHEK1AURKAAURKBCDK4
SCHEMBL11795033 0.71 KDR (0.58) ITKCHEK1AURKANPC1RAB9A

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
US-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 US claimed
US-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 US claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
US-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 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 (3 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 ITK 2496/4885CHEK1 3154/4885AURKA 4579/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ITK 377/4885CHEK1 499/4885AURKA 918/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 ITK 2496/4885CHEK1 3154/4885AURKA 4579/4885

“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.