SCHEMBL1961656

SCHEMBL1961656

CC(C)(C)c1ccc(CN2C=Cc3[nH]c(-c4ccccc4F)nc3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SCD O00767 1/20 0.38
CXCR2 P25025 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PKM P14618 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
MCL1 Q07820 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33

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
SCHEMBL1960349 0.88 MEN1 (0.38) KMT2AMEN1HPGDSMN1; SMN2CXCR2
SCHEMBL1959767 0.88 CXCR2 (0.46) KMT2AMEN1HPGDSMN1; SMN2CXCR2
SCHEMBL1962134 0.87 CXCR2 (0.39) KMT2AMEN1HPGDSMN1; SMN2CXCR2
SCHEMBL1961648 0.86 CXCR2 (0.40) KMT2AMEN1HPGDSMN1; SMN2CXCR2
SCHEMBL1960015 0.86 HDAC6 (0.39) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL1958382 0.86 CXCR2 (0.38) KMT2AMEN1HPGDSMN1; SMN2CXCR2
SCHEMBL1959019 0.81 MAPK14 (0.41) KMT2AMEN1HPGDSMN1; SMN2CXCR2
SCHEMBL1958077 0.80 GAA (0.43) KMT2AMEN1HPGDSMN1; SMN2CXCR2
SCHEMBL3180975 0.78 GRIN2B (0.37) KMT2AMEN1HPGDSMN1; SMN2CXCR2
SCHEMBL1959705 0.78 CXCR2 (0.43) CXCR2NPSR1GAAPOLB

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 KMT2A 2253/4885MEN1 3767/4885HPGD 2421/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE KMT2A 2178/4885MEN1 2547/4885HPGD 1945/4885

“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.