SCHEMBL1703686

SCHEMBL1703686

CCC(Nc1ncnc2c1ncn2C1CCCCO1)c1nc2ccsc2c(=O)n1-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP2C19 P33261 1/20 0.41
▸ PIK3CD O00329 5/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ YTHDC1 Q96MU7 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ PI4KA P42356 1/20 0.35

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
SCHEMBL1703383 0.94 NPC1 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19PIK3CD
SCHEMBL1704245 0.92 NPC1 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19PIK3CD
SCHEMBL1704013 0.91 NPC1 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19PIK3CD
SCHEMBL1703780 0.89 NPC1 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19PIK3CD
SCHEMBL1704298 0.88 NPC1 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19PIK3CD
SCHEMBL1703502 0.85 PIK3CD (0.42) SMN1; SMN2NPC1RAB9APIK3CDYTHDC1
SCHEMBL4227217 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19PIK3CD
SCHEMBL21980342 0.80 PIK3CD (0.54) SMN1; SMN2NPC1RAB9APIK3CD
SCHEMBL15260579 0.80 PIK3CG (0.57) SMN1; SMN2NPC1RAB9APIK3CD
SCHEMBL21980235 0.78 PIK3CD (0.50) SMN1; SMN2NPC1RAB9APIK3CD

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 4 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
EP-2097422-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS Eli Lilly & Co. (US) 2009-09-09 — — EP disclosed
WO-2008064018-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ELI LILLY & CO. (US) 2008-05-29 — — 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-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 3934/4885NPC1 3005/4885RAB9A 1996/4885

“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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