SCHEMBL1960014

SCHEMBL1960014

CC(C)(C)c1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGDS O60760 1/20 0.42
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
METAP2 P50579 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
CYP19A1 P11511 2/20 0.40
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 3/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
GAA P10253 1/20 0.39
GPR55 Q9Y2T6 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
SCHEMBL1959703 0.87 KCNH2 (0.44) MAPTNPSR1NPC1RAB9ALMNA
SCHEMBL1961068 0.86 CYP11B1 (0.50) NPC1RAB9AALDH1A1LMNAHPGDS
SCHEMBL1411948 0.86 HPGDS (0.54) MAPTRAB9AALDH1A1LMNAHPGDS
Hydrochloric Acid SCHEMBL2344066 0.86 KCNH2 (0.44) MAPTNPSR1NPC1RAB9ALMNA
SCHEMBL1959643 0.85 SMN1; SMN2 (0.52) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL1958116 0.83 SMN1; SMN2 (0.50) MAPTHTTNPSR1NPC1RAB9A
SCHEMBL1961654 0.83 KCNH2 (0.53) MAPTHTTNPSR1NPC1RAB9A
SCHEMBL1959676 0.82 CYP11B1 (0.47) MAPTNPSR1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL1960818 0.82 SMN1; SMN2 (0.49) MAPTHTTNPSR1NPC1RAB9A
SCHEMBL1961126 0.82 HPGDS (0.45) NPC1RAB9AALDH1A1LMNAHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 1457/4885HTT 3999/4885NPSR1 4197/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE MAPT 2315/4885HTT 3554/4885NPSR1 4143/4885

“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.