SCHEMBL1961068

SCHEMBL1961068

c1ccc(-c2ccc(Cn3ccc4nc(-c5ccccc5)nc-4c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.50
CYP17A1 P05093 1/20 0.50
CYP11B2 P19099 1/20 0.50
HPGDS O60760 1/20 0.48
CYP19A1 P11511 1/20 0.45
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
LMNA P02545 2/20 0.40
NR1H3 Q13133 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CASP3 P42574 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
SCHEMBL1411948 0.94 HPGDS (0.54) CYP11B1CYP17A1CYP11B2HPGDSCYP19A1
SCHEMBL1958116 0.91 SMN1; SMN2 (0.50) CYP11B1CYP17A1CYP11B2HPGDSCYP19A1
SCHEMBL1962576 0.90 NR1H3 (0.47) CYP11B1CYP17A1CYP11B2HPGDSCYP19A1
SCHEMBL1961126 0.90 HPGDS (0.45) CYP11B1CYP17A1CYP11B2HPGDSCYP19A1
SCHEMBL1959676 0.90 CYP11B1 (0.47) CYP11B1CYP17A1CYP11B2HPGDSCYP19A1
SCHEMBL1959643 0.90 SMN1; SMN2 (0.52) CYP11B1CYP17A1CYP11B2HPGDSCYP19A1
Hydrochloric Acid SCHEMBL1960818 0.90 SMN1; SMN2 (0.49) CYP11B1CYP17A1CYP11B2HPGDSCYP19A1
SCHEMBL2348026 0.88 HPGDS (0.46) CYP11B1CYP17A1CYP11B2HPGDSCYP19A1
SCHEMBL1960014 0.86 MAPT (0.43) HPGDSCYP19A1LMNAALDH1A1GAA
SCHEMBL1959703 0.86 KCNH2 (0.44) CYP11B1CYP17A1CYP11B2HPGDSADORA3

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 13 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-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 CYP11B1 1458/4885CYP17A1 3229/4885CYP11B2 1903/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CYP11B1 783/4885CYP17A1 1799/4885CYP11B2 1113/4885

“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.