SCHEMBL923231

SCHEMBL923231

COc1cccc(Nc2nc(C3CC3)nc3sc4c(c23)CCCC4)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.67
PTGS2 P35354 5/20 0.54
MAPT P10636 4/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 3/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EGFR P00533 2/20 0.47
BRD4 O60885 1/20 0.46

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
SCHEMBL923161 0.87 MAPT (0.54) MKNK1PTGS2MAPTRAB9AGAA
SCHEMBL924310 0.85 MAPT (0.69) MKNK1PTGS2MAPTRAB9AGAA
SCHEMBL922804 0.85 MKNK1 (0.66) MKNK1PTGS2MAPTRAB9AGAA
SCHEMBL922886 0.82 MAPT (0.50) MKNK1PTGS2MAPTRAB9AGAA
SCHEMBL923249 0.82 MAPT (0.50) MKNK1PTGS2MAPTRAB9AGAA
SCHEMBL923542 0.81 PTGS2 (0.60) MKNK1PTGS2MAPTRAB9AGAA
SCHEMBL4041935 0.81 MKNK1 (1.00) MKNK1MAPTHPGDEGFR
SCHEMBL923398 0.80 EPAS1 (0.52) MKNK1MAPTRAB9AGAAKDM4E
SCHEMBL17210286 0.71 MKNK1 (0.50) MKNK1MAPTALDH1A1
SCHEMBL15868367 0.71 MKNK1 (0.50) MKNK1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802849-B2 Tricyclic benzo[4,5]thieno-[2,3-d]pyrimidine-4-yl-amin derivatives, their salts, process for producing the compounds and their pharmaceutical use VICHEM CHEMIE KUTATÓ KFT. (HU) 2014-08-12 US claimed
US-20110015214-A1 TRICYCLIC BENZO[4,5]THIENO-[2,3-D]PYRIMIDINE-4-YL-AMIN DERIVATIVES, THEIR SALTS, PROCESS FOR PRODUCING THE COMPOUNDS AND THEIR PHARMACEUTICAL USE VICHEM CHEMIE KUTATO KFT. (HU) 2011-01-20 US claimed
EP-2257554-A1 TRICYCLIC BENZOÝ4,5¨THIENO-Ý2,3-D¨PYRIMIDINE-4-YL-AMIN DERIVATIVES, THEIR SALTS, PROCESS FOR PRODUCING THE COMPOUNDS AND THEIR PHARMACEUTICAL USE Vichem Chemie Kutató KFT (HU) 2010-12-08 EP claimed
WO-2009104026-A1 TRICYCLIC BENZO[4,5]THIENO-[2,3-D]PYRIMIDINE-4-YL-AMIN DERIVATIVES, THEIR SALTS, PROCESS FOR PRODUCING THE COMPOUNDS AND THEIR PHARMACEUTICAL USE VICHEM CHEMIE KUTATÓ KFT (HU) 2009-08-27 WO claimed
US-8802849-B2 Tricyclic benzo[4,5]thieno-[2,3-d]pyrimidine-4-yl-amin derivatives, their salts, process for producing the compounds and their pharmaceutical use VICHEM CHEMIE KUTATÓ KFT. (HU) 2014-08-12 US disclosed
US-20110015214-A1 TRICYCLIC BENZO[4,5]THIENO-[2,3-D]PYRIMIDINE-4-YL-AMIN DERIVATIVES, THEIR SALTS, PROCESS FOR PRODUCING THE COMPOUNDS AND THEIR PHARMACEUTICAL USE VICHEM CHEMIE KUTATO KFT. (HU) 2011-01-20 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 (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-20110015214-A1 TRICYCLIC BENZO[4,5]THIENO-[2,3-D]PYRIMIDINE-4-YL-AMIN DERIVATIVES, THEIR SALTS, PROCESS FOR PRODUCING THE COMPOUNDS AND THEIR PHARMACEUTICAL USE TYMS, TYMP, DPYD MKNK1 2917/4885PTGS2 934/4885MAPT 3085/4885

“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.