SCHEMBL144479

SCHEMBL144479

CN1CCN(C(=O)c2ccc3[nH]c(-c4n[nH]c5ccccc45)cc3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.63
CHEK1 O14757 1/20 0.61
ITK Q08881 10/20 0.56
MAPK10 P53779 1/20 0.53
FLT3 P36888 1/20 0.53
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MGLL Q99685 1/20 0.51
HRH4 Q9H3N8 2/20 0.50
MAP4K1 Q92918 1/20 0.48

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
SCHEMBL145923 0.89 KDR (0.62) KDRCHEK1ITKMAPK10FLT3
SCHEMBL5952108 0.83 FGFR1 (0.58) KDRCHEK1ITKMAPK10FLT3
SCHEMBL13650123 0.82 CHEK1 (0.51) KDRCHEK1ITKFLT3MGLL
SCHEMBL4125482 0.80 ITK (0.81) CHEK1ITK
SCHEMBL5638192 0.79 HRH4 (0.56) KDRCHEK1ITKMAPK10HRH4
SCHEMBL1225812 0.79 PDPK1 (0.61) KDRCHEK1MAPK10FLT3HRH4
SCHEMBL31172237 0.79 PDPK1 (0.61) KDRCHEK1MAPK10FLT3HRH4
SCHEMBL146834 0.78 CHEK1 (0.76) CHEK1ITK
SCHEMBL5078878 0.77 KDR (1.00) KDRCHEK1HPGDTSHRMGLL
SCHEMBL12370825 0.77 HRH4 (0.55) KDRCHEK1ITKMAPK10FLT3

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 10 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
WO-2003024969-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 WO 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
WO-2003024969-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 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 (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 KDR 1077/4885CHEK1 3154/4885ITK 2496/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885ITK 377/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 KDR 1077/4885CHEK1 3154/4885ITK 2496/4885

“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.