SCHEMBL6282364

SCHEMBL6282364

Cc1cccc(CNc2cncc(N3CCNCC3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
ASIC3 Q9UHC3 1/20 0.45
PIM1 P11309 4/20 0.45
PIM3 Q86V86 4/20 0.45
PIM2 Q9P1W9 4/20 0.45
HTR2C P28335 5/20 0.43
HTR2A P28223 4/20 0.43
HTR1A P08908 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2B P41595 3/20 0.40

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
Fumaric Acid SCHEMBL6284252 0.91 PIM2 (0.48) KCNH2CACNA1CASIC3PIM1PIM3
Fumaric Acid SCHEMBL6284257 0.91 PIM2 (0.48) KCNH2CACNA1CASIC3PIM1PIM3
SCHEMBL3267745 0.79 ACHE (0.58) PIM1PIM3PIM2HTR2CHTR2A
SCHEMBL905821 0.77 HTR2C (0.61) KCNH2CACNA1CASIC3PIM1PIM3
SCHEMBL6282988 0.76 HTR2C (0.42) KCNH2CACNA1CASIC3PIM1PIM3
SCHEMBL905869 0.76 CDK9 (0.50) PIM1PIM3PIM2HTR2CHTR2A
SCHEMBL906061 0.76 ACHE (0.43) PIM1PIM3PIM2HTR2CHTR2A
SCHEMBL906005 0.76 HTR2C (0.63) PIM1PIM3PIM2HTR2CHTR2A
SCHEMBL906151 0.75 HTR2C (0.59) PIM1PIM3PIM2HTR2CHTR2A
Hydrochloric Acid SCHEMBL6285450 0.75 CDK9 (0.49) PIM1PIM3PIM2HTR2CHTR2A

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-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 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-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A KCNH2 2160/4885CACNA1C 1187/4885ASIC3 2183/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A KCNH2 2160/4885CACNA1C 1187/4885ASIC3 2183/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A KCNH2 2329/4885CACNA1C 1018/4885ASIC3 2244/4885

“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.