SCHEMBL2078066

SCHEMBL2078066

COc1cccc(N)c1C1=CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.50
CDK9 P50750 4/20 0.50
QDPR P09417 1/20 0.48
SIGMAR1 Q99720 1/20 0.44
HTR6 P50406 6/20 0.43
HTR7 P34969 2/20 0.43
HTR2C P28335 7/20 0.43
ALDH1A1 P00352 3/20 0.43
HTR2A P28223 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
KCNH2 Q12809 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
ADRA2B P18089 1/20 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
SCHEMBL4562535 0.82 CCNT1 (0.50) CCNT1CDK9QDPRSIGMAR1HTR6
SCHEMBL5020013 0.77 CCNT1 (0.48) CCNT1CDK9QDPRSIGMAR1HTR6
SCHEMBL614978 0.75 CCNT1 (0.57) CCNT1CDK9QDPRSIGMAR1HTR6
SCHEMBL31348179 0.75 CCNT1 (0.57) CCNT1CDK9QDPRSIGMAR1HTR6
SCHEMBL12479331 0.75 QDPR (0.72) QDPRSIGMAR1HTR2CALDH1A1TGFBR1
SCHEMBL23239840 0.74 MAPT (0.57) CCNT1CDK9QDPRSIGMAR1HTR6
SCHEMBL14704912 0.74 CDK9 (0.44) CCNT1CDK9QDPRHTR6HTR7
SCHEMBL6075589 0.74 HTR2C (0.55) QDPRSIGMAR1HTR6HTR7HTR2C
SCHEMBL7276398 0.73 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTADRA2BPTGS1
SCHEMBL30816756 0.73 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTADRA2BPTGS1

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CCNT1 3047/4885CDK9 648/4885QDPR 46/4885

“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.