SCHEMBL2044974

SCHEMBL2044974

COCc1nnc(CCl)o1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
NOTUM Q6P988 1/20 0.34
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL2037956 0.78 ALDH1A1 (0.36) ALDH1A1LMNANOTUM
SCHEMBL17079286 0.74 POLB (0.34) ALDH1A1MAPT
SCHEMBL22774529 0.74 ALDH1A1 (0.33) ALDH1A1LMNANOTUM
SCHEMBL2040652 0.73
SCHEMBL6432091 0.73
SCHEMBL9840283 0.73
SCHEMBL11335582 0.73
SCHEMBL15039272 0.73
SCHEMBL22738591 0.71 SORT1 (0.41) ALDH1A1LMNAMAPTKDM4E
SCHEMBL25025274 0.70 ALDH1A1 (0.31) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202922-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-10-02 WO disclosed
US-9018175-B2 3,4,4a,10b-Tetrahydro-1H-thiopyrano-[44,3-c] isoquinoline derivatives TAKEDA GMBH (DE) 2015-04-28 US disclosed
EP-2813509-A1 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives Takeda GmbH (DE) 2014-12-17 EP disclosed
EP-2513119-B1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES TAKEDA GMBH (DE) 2014-06-25 EP disclosed
US-20120289474-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES NYCOMED GMBH (DE) 2012-11-15 US disclosed
EP-2513119-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES Nycomed GmbH (DE) 2012-10-24 EP disclosed
WO-2011073231-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES NYCOMED GMBH (DE) 2011-06-23 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-20120289474-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES PDE4A, PDE4B, PDE3B ALDH1A1 300/4885LMNA 3350/4885NOTUM 1109/4885

“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.