SCHEMBL17212398

SCHEMBL17212398

COCCCNc1nc(-c2cccnc2)nc2ccc(Br)cc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 10/20 0.61
▸ PDE5A O76074 6/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ GSK3A P49840 1/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ MAPT P10636 1/20 0.52

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
SCHEMBL14727594 0.94 GBA1 (0.59) GBA1PDE5AALDH1A1LMNAHPGD
SCHEMBL20273688 0.89 GBA1 (0.60) GBA1PDE5AALDH1A1LMNAHPGD
SCHEMBL16183741 0.85 GBA1 (0.59) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL7610140 0.82 ALDH1A1 (0.60) GBA1PDE5AALDH1A1LMNAHPGD
SCHEMBL14727601 0.82 PDE5A (0.55) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL2154895 0.80 CYP1A2 (0.71) GBA1PDE5AALDH1A1LMNAHPGD
SCHEMBL7280290 0.80 GBA1 (0.58) GBA1PDE5AALDH1A1LMNAHPGD
SCHEMBL7286156 0.80 CYP1A2 (0.58) GBA1PDE5AALDH1A1LMNAHPGD
SCHEMBL7285873 0.79 PDE5A (0.78) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL16183747 0.79 CYP1A2 (0.61) GBA1PDE5AALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 — — EP disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA GBA1 304/4885PDE5A 748/4885ALDH1A1 2216/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA GBA1 304/4885PDE5A 748/4885ALDH1A1 2216/4885

“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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