SCHEMBL17318656

SCHEMBL17318656

O=C(Nc1nnc(-c2ccncc2)s1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 2/20 0.58
MAPK10 P53779 4/20 0.57
MAPK8 P45983 3/20 0.57
KMT2A Q03164 2/20 0.56
BRAF P15056 3/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
APOBEC3A P31941 1/20 0.54
APOBEC3B Q9UH17 1/20 0.54
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
IDE P14735 1/20 0.53
MAPK1 P28482 1/20 0.53
BLM P54132 1/20 0.52

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
SCHEMBL18762149 0.82 KMT2A (0.73) APOBEC3GKMT2ANPC1RAB9AMEN1
SCHEMBL18292329 0.81 CSNK2A2 (0.74) APOBEC3GKMT2ANPC1RAB9AMEN1
SCHEMBL17318644 0.78 NPC1 (0.70) APOBEC3GKMT2ANPC1RAB9AMEN1
SCHEMBL17318569 0.77 NPC1 (0.65) APOBEC3GKMT2ANPC1RAB9AMEN1
SCHEMBL17318598 0.77 NPC1 (0.65) APOBEC3GKMT2ANPC1RAB9AMEN1
SCHEMBL24599320 0.77 CA1 (0.67) KMT2AMEN1P2RX1LMNA
SCHEMBL17318578 0.76 NPC1 (0.72) APOBEC3GNPC1RAB9AALDH1A1NPSR1
SCHEMBL13357696 0.76 KDM4E (0.78) APOBEC3GMAPK10MAPK8KMT2ANPC1
SCHEMBL24233115 0.76 BLM (0.69) MAPK10MAPK8KMT2ARAB9AMEN1
SCHEMBL24233015 0.76 BLM (0.77) MAPK10MAPK8KMT2ARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US disclosed
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 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 (1 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-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 APOBEC3G 268/4885MAPK10 3689/4885MAPK8 3492/4885

“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.