SCHEMBL6312915

SCHEMBL6312915

Clc1nccc(Nc2ccc3nccnc3c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.52
ADRA2A P08913 2/20 0.47
ADRA2C P18825 2/20 0.47
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
ADRA2B P18089 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
ROCK1 Q13464 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 4/20 0.41

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
SCHEMBL3388994 0.83 IGF1R (0.55) IGF1RABCB1ABCC1ABCG2HTR3E
SCHEMBL13035474 0.78 PLK1 (0.52) NPC1RAB9AMEN1KMT2AKDR
SCHEMBL3459248 0.78 IGF1R (0.46) IGF1RADRA2AADRA2CADRA1DADRA1A
SCHEMBL6311516 0.78 KDM1A (0.49) IGF1RABCB1ABCC1ABCG2HTR3E
SCHEMBL6317977 0.78 IGF1R (0.57) IGF1RADRA2AADRA2CADRA1DADRA1A
SCHEMBL13485393 0.77 KDM4E (0.44) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL3298034 0.77 HTR3E (0.47) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL23887607 0.76 SYK (0.42) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL3188093 0.76 APP (0.50) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL30213675 0.76 APP (0.50) HTR3EHTR3BHTR3AROCK1HTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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 (1 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT IGF1R 4054/4885ADRA2A 2620/4885ADRA2C 1600/4885

“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.