SCHEMBL1959009

SCHEMBL1959009

Cc1cccc(-c2nc3c([nH]2)C=CN(Cc2ccc(Br)cc2)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.39
PIN1 Q13526 1/20 0.37
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
ACP1 P24666 1/20 0.35
PBRM1 Q86U86 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
MDM2 Q00987 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NR1I3 Q14994 1/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL1959852 0.90 HRH1 (0.38) MAPTALDH1A1HPGDGAAALOX12
SCHEMBL1958997 0.88 PTGES (0.39) PTGESPIN1ALDH1A1HPGDGAA
SCHEMBL1959832 0.88 ACP1 (0.35) PIN1MAPTGAAACP1TYMP
SCHEMBL2344753 0.88 CHRNB4 (0.31)
SCHEMBL1958858 0.87 GAA (0.34) ALDH1A1GAAKDM4E
SCHEMBL1961667 0.87 PIN1 (0.40) PIN1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2347186 0.87 AURKA (0.39) SMN1; SMN2
SCHEMBL1962577 0.87 MAPK13 (0.39) MAPTALDH1A1GAANR1I3TP53
SCHEMBL1961366 0.85 CXCR2 (0.41) PIN1ALDH1A1PKMHPGDSMN1; SMN2
SCHEMBL1959224 0.85 CLPP (0.31)

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 11 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
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
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 PTGES 1940/4885PIN1 246/4885MAPT 1457/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE PTGES 2133/4885PIN1 63/4885MAPT 2315/4885

“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.