SCHEMBL315250

SCHEMBL315250

NNC(=O)COc1ncccn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ ALDH1A1 P00352 8/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ P2RX7 Q99572 2/20 0.50
▸ OGG1 O15527 2/20 0.47
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5859013 0.77 MAPT (0.49) MAPTALDH1A1KDM4EP2RX7GAA
SCHEMBL15517101 0.74 MAPT (0.65) MAPTALDH1A1KDM4EOGG1NPSR1
SCHEMBL15516810 0.74 MAPT (0.65) MAPTALDH1A1KDM4EP2RX7OGG1
SCHEMBL1280673 0.74 ALOX15 (0.52) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL4422333 0.72 ALDH1A1 (0.73) ALDH1A1KDM4EOGG1LMNAMEN1
SCHEMBL28678208 0.72 MAPT (1.00) MAPTALDH1A1KDM4EOGG1GAA
SCHEMBL1272486 0.72 ALDH1A1 (0.73) ALDH1A1KDM4EOGG1GAALMNA
SCHEMBL16835750 0.72 NOTUM (0.58) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL2824970 0.71 ALDH1A1 (0.55) MAPTALDH1A1KDM4E
SCHEMBL31026266 0.71 OGG1 (0.65) MAPTALDH1A1KDM4EOGG1GAA

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 MAPT 4829/4885ALDH1A1 2650/4885KDM4E 3377/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MAPT 4518/4885ALDH1A1 2031/4885KDM4E 954/4885

“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.

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