Sugi Predict

Sugi Predict / Compounds / SCHEMBL3496259

SCHEMBL3496259

SCHEMBL3496259

OCc1coc(-c2ccc(-n3cnc4ccccc43)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 3/20 0.51
▸ HTT P42858 5/20 0.49
▸ MAPT P10636 4/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PTK2B Q14289 1/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ PPP1CA P62136 1/20 0.46
▸ PDE2A O00408 1/20 0.42
▸ PDE3B Q13370 1/20 0.42

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
SCHEMBL3497016 0.88 HTT (0.49) FGFR1HTTMAPTKMT2ANPSR1
SCHEMBL3497006 0.85 HTT (0.47) FGFR1HTTMAPTKMT2ANPSR1
SCHEMBL3497799 0.84 HTT (0.49) FGFR1HTTMAPTKMT2ANPSR1
SCHEMBL3496582 0.83 HTT (0.46) FGFR1HTTMAPTKMT2ANPSR1
SCHEMBL3496688 0.83 DRD2 (0.52) FGFR1HTTMAPTKMT2ANPSR1
SCHEMBL3497831 0.82 HRH3 (0.53) FGFR1HTTMAPTKMT2ANPSR1
Fumaric Acid SCHEMBL3497237 0.82 HTT (0.43) FGFR1HTTMAPTKMT2ANPSR1
Fumaric Acid SCHEMBL3497239 0.82 HTT (0.43) FGFR1HTTMAPTKMT2ANPSR1
SCHEMBL3496730 0.81 DRD2 (0.53) FGFR1HTTMAPTKMT2ANPSR1
SCHEMBL3496132 0.81 CYP11B1 (0.59) HTTNPSR1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 — — US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 — — US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 — — US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 — — EP disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 — — US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 — — US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 — — WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 — — US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 — — 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 FGFR1 2784/4885HTT 775/4885MAPT 1064/4885

“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.