SCHEMBL1960015

SCHEMBL1960015

CC(C)(C)c1ccc(CN2C=Cc3[nH]c(-c4ccccc4)nc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
MCL1 Q07820 1/20 0.36
METAP2 P50579 1/20 0.36
GNRHR P30968 4/20 0.34

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
SCHEMBL1959705 0.89 CXCR2 (0.43) TNKSTNKS2NPSR1GAAPDE2A
SCHEMBL1411950 0.88 CXCR2 (0.40) GAATP53ALDH1A1HPGD
SCHEMBL1959645 0.87 NPC1 (0.40) TNKSTNKS2KMT2AGAATP53
SCHEMBL1959716 0.86 CXCR2 (0.39) TNKSTNKS2KMT2ATP53SMN1; SMN2
SCHEMBL1961656 0.86 KMT2A (0.38) KMT2ANPSR1HTTGAAGPR55
SCHEMBL1959677 0.85 CYP11B1 (0.38) TNKSTNKS2KMT2ANPSR1HTT
SCHEMBL1962577 0.85 MAPK13 (0.39) TNKSTNKS2GAATP53ALDH1A1
SCHEMBL1961127 0.85 CXCR2 (0.36) GAATP53ALDH1A1
Hydrochloric Acid SCHEMBL1960821 0.85 CXCR2 (0.38) TNKSTNKS2KMT2ATP53SMN1; SMN2
SCHEMBL1961675 0.84 CXCR2 (0.43) TNKSTNKS2KMT2ANPSR1HTT

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 HDAC6 332/4885TNKS 1186/4885TNKS2 2605/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE HDAC6 190/4885TNKS 1377/4885TNKS2 2966/4885

“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.