SCHEMBL1703383

SCHEMBL1703383

CCC(Nc1ncnc2c1ncn2C1CCCCO1)c1nc2ccsc2c(=O)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PIK3CD O00329 9/20 0.47
▸ CYP2C19 P33261 1/20 0.41
▸ PIK3CG P48736 7/20 0.39
▸ PIK3CA P42336 4/20 0.39
▸ PIK3CB P42338 4/20 0.39
▸ PIK3R1 P27986 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PIK3R2 O00459 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDE3A Q14432 1/20 0.39

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
SCHEMBL1703686 0.94 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2PIK3CDCYP2C19
SCHEMBL1704245 0.93 NPC1 (0.42) NPC1RAB9ASMN1; SMN2PIK3CDCYP2C19
SCHEMBL1703502 0.92 PIK3CD (0.42) NPC1RAB9ASMN1; SMN2PIK3CDPIK3CG
SCHEMBL1704298 0.92 NPC1 (0.42) NPC1RAB9ASMN1; SMN2PIK3CDCYP2C19
SCHEMBL1703780 0.91 NPC1 (0.45) NPC1RAB9ASMN1; SMN2PIK3CDCYP2C19
SCHEMBL1704013 0.91 NPC1 (0.42) NPC1RAB9ASMN1; SMN2PIK3CDCYP2C19
SCHEMBL15260579 0.85 PIK3CG (0.57) NPC1RAB9ASMN1; SMN2PIK3CDPIK3CG
SCHEMBL21980342 0.85 PIK3CD (0.54) NPC1RAB9ASMN1; SMN2PIK3CDPIK3CG
SCHEMBL21980237 0.84 PIK3CD (0.50) NPC1RAB9ASMN1; SMN2PIK3CDPIK3CG
SCHEMBL21980235 0.84 PIK3CD (0.50) NPC1RAB9ASMN1; SMN2PIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441768-A1 Thienopyrimidinones for treatment of inflammatory disorders and cancers Eli Lilly & Co. (US) 2012-04-18 — — EP disclosed
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 — — 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-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS PIK3CA, PIK3CD, PIK3CB NPC1 3005/4885RAB9A 1996/4885SMN1; SMN2 3934/4885

“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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