SCHEMBL1961648

SCHEMBL1961648

Fc1ccccc1-c1nc2c([nH]1)C=CN(Cc1ccc(I)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.40
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.33
ACP1 P24666 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
MAPK14 Q16539 1/20 0.32
DCUN1D1 Q96GG9 2/20 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
SCHEMBL3180975 0.91 GRIN2B (0.37) CXCR2MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL1959767 0.91 CXCR2 (0.46) CXCR2MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL1962134 0.90 CXCR2 (0.39) CXCR2MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL1958382 0.89 CXCR2 (0.38) CXCR2MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL1960349 0.89 MEN1 (0.38) CXCR2MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL1961656 0.86 KMT2A (0.38) CXCR2MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL1961127 0.85 CXCR2 (0.36) CXCR2NPC1ALDH1A1RAB9AGAA
SCHEMBL1959019 0.82 MAPK14 (0.41) CXCR2MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL1958077 0.80 GAA (0.43) CXCR2MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL1961658 0.79 CXCR2 (0.38) CXCR2MEN1HPGDKMT2ASMN1; SMN2

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 15 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-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO 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 CXCR2 1642/4885MEN1 3767/4885HPGD 2421/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CXCR2 1546/4885MEN1 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.