SCHEMBL315392

SCHEMBL315392

S=c1[nH]nc(Cn2nccn2)n1-c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
GAA P10253 4/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
GFER P55789 1/20 0.56
APOBEC3G Q9HC16 2/20 0.55
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.47

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
SCHEMBL7695139 0.74 ALDH1A1 (1.00) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL5426722 0.72 ALDH1A1 (0.71) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL5434943 0.72 ALDH1A1 (0.76) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL5432292 0.71 ALDH1A1 (0.89) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL5426838 0.69 MEN1 (0.87) ALDH1A1GAAKMT2AMEN1HPGD
SCHEMBL315724 0.68 KCNH2 (0.45) ALDH1A1GAAHPGDKDM4EMAPT
SCHEMBL7693261 0.68 GFER (0.88) ALDH1A1KMT2AMEN1HPGDGFER
SCHEMBL28758727 0.68 TLR8 (0.36) ALDH1A1KMT2AMAPTL3MBTL1LMNA
SCHEMBL316709 0.68 TLR8 (0.60) ALDH1A1KMT2AMEN1MAPT
SCHEMBL4882083 0.67 MAPT (0.42) ALDH1A1GAAKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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 (2 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 ALDH1A1 2650/4885GAA 4652/4885KMT2A 3968/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ALDH1A1 2031/4885GAA 2700/4885KMT2A 1134/4885

“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.