SCHEMBL1738860

SCHEMBL1738860

OCC1CNCCN1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.53
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ CYP2C19 P33261 1/20 0.46
▸ GBA1 P04062 1/20 0.46
▸ SPHK2 Q9NRA0 2/20 0.45
▸ SPHK1 Q9NYA1 2/20 0.45
▸ MITF O75030 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ CA9 Q16790 2/20 0.43

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
SCHEMBL8101234 1.00 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL2080509 1.00 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL23496876 0.88 SIGMAR1 (0.54) SIGMAR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL6008090 0.88 SIGMAR1 (0.54) SIGMAR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL3948948 0.88 SIGMAR1 (0.54) SIGMAR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL10158913 0.86 SPHK2 (0.46) SIGMAR1SPHK2SPHK1
SCHEMBL1415727 0.86 SLC6A2 (0.63) SIGMAR1SLC6A2SLC6A4SLC6A3MITF
SCHEMBL6936570 0.86 SLC6A2 (0.63) SIGMAR1SLC6A2SLC6A4SLC6A3MITF
SCHEMBL27505917 0.86 SLC6A2 (0.63) SIGMAR1SLC6A2SLC6A4SLC6A3MITF
SCHEMBL29247444 0.84 SLC6A2 (0.50) SIGMAR1SLC6A2SLC6A4SLC6A3CYP2C19

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425649-A Pyrazole derivatives as KRAS mutein inhibitors 诺华股份有限公司 2024-01-19 — — CN disclosed
US-11634422-B2 Inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2023-04-25 — — US disclosed
US-10669277-B2 Inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2020-06-02 — — US disclosed
US-20200031830-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2020-01-30 — — US disclosed
WO-2019215203-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2019-11-14 — — WO disclosed
US-10233186-B2 Inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2019-03-19 — — US disclosed
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION 2017-10-19 — — US disclosed
WO-2017181117-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2017-10-19 — — WO disclosed
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 — — US disclosed
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
EP-1968962-A2 DIAZA HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USES Amgen Inc. (US) 2008-09-17 — — EP disclosed
US-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. 2007-07-26 — — US disclosed
US-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. 2007-07-26 — — US disclosed
US-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. 2007-07-26 — — US disclosed
WO-2007070506-A2 DIAZA HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2007-06-21 — — WO disclosed
EP-1791809-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2007-06-06 — — EP disclosed
US-20060155121-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-13 — — US disclosed
WO-2006029623-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-23 — — WO disclosed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — EP 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 (8 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-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses GLP1R, GPR119, INSR SIGMAR1 565/4885SLC6A2 3182/4885SLC6A4 2423/4885
US-10669277-B2 Inhibitors of activin receptor-like kinase ACVR1, ACVR2A, ACVRL1 SIGMAR1 4509/4885SLC6A2 4403/4885SLC6A4 4307/4885
US-20200031830-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 SIGMAR1 4509/4885SLC6A2 4403/4885SLC6A4 4307/4885
US-11634422-B2 Inhibitors of activin receptor-like kinase ACVR1, ACVR2A, ACVRL1 SIGMAR1 4509/4885SLC6A2 4403/4885SLC6A4 4307/4885
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 SIGMAR1 4336/4885SLC6A2 2718/4885SLC6A4 2325/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 SIGMAR1 441/4885SLC6A2 104/4885SLC6A4 208/4885
US-10233186-B2 Inhibitors of activin receptor-like kinase ACVR1, ACVR2A, ACVRL1 SIGMAR1 3967/4885SLC6A2 3874/4885SLC6A4 3896/4885
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 SIGMAR1 4509/4885SLC6A2 4403/4885SLC6A4 4307/4885

“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.

Send feedback