SCHEMBL1959643

SCHEMBL1959643

Cc1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TP53 P04637 2/20 0.45
HPGDS O60760 1/20 0.45
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP19A1 P11511 1/20 0.42
POLB P06746 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL1961068 0.90 CYP11B1 (0.50) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL1411948 0.90 HPGDS (0.54) SMN1; SMN2RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL1958116 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP3A4CYP2C9
SCHEMBL1958857 0.86 AHR (0.42) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL1961126 0.86 HPGDS (0.45) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL1959676 0.86 CYP11B1 (0.47) SMN1; SMN2NPC1RAB9ACYP3A4CYP2C9
SCHEMBL1962576 0.86 NR1H3 (0.47) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1960818 0.86 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP3A4CYP2C9
SCHEMBL1960014 0.85 MAPT (0.43) SMN1; SMN2NPC1RAB9ATP53HPGDS
SCHEMBL1961673 0.85 CYP11B1 (0.49) SMN1; SMN2NPC1RAB9ATP53HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US claimed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP claimed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US claimed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO claimed
EP-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 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 (2 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 SMN1; SMN2 3179/4885NPC1 607/4885RAB9A 1537/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE SMN1; SMN2 3260/4885NPC1 562/4885RAB9A 2520/4885

“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.