SCHEMBL17816407

SCHEMBL17816407

O=c1[nH]c(-c2cc(Br)ccc2F)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.63
TNKS2 Q9H2K2 5/20 0.63
CYP1A1 P04798 1/20 0.63
CYP1B1 Q16678 1/20 0.63
GUSB P08236 11/20 0.58
PARP2 Q9UGN5 2/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 2/20 0.56
PARP1 P09874 2/20 0.55
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
AMY1A P0DUB6 1/20 0.49

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
SCHEMBL28646510 0.86 TNKS (0.67) TNKSTNKS2CYP1A1CYP1B1GUSB
SCHEMBL4712542 0.85 PTGES (0.53) TNKSTNKS2CYP1A1CYP1B1GUSB
SCHEMBL4712040 0.84 GUSB (0.68) TNKSTNKS2CYP1A1CYP1B1GUSB
SCHEMBL3512712 0.81 NPC1 (0.67) KDM4EHPGDALDH1A1MAPTHSD17B10
SCHEMBL802560 0.78 GUSB (0.68) TNKSTNKS2CYP1A1CYP1B1GUSB
SCHEMBL29784068 0.78 TNKS (1.00) TNKSTNKS2CYP1A1CYP1B1GUSB
SCHEMBL5795292 0.78 TNKS (1.00) TNKSTNKS2CYP1A1CYP1B1GUSB
SCHEMBL17904243 0.77 TNKS (0.71) TNKSTNKS2CYP1A1CYP1B1GUSB
SCHEMBL3110381 0.77 TNKS (0.62) TNKSTNKS2CYP1A1CYP1B1GUSB
SCHEMBL6695759 0.77 TNKS2 (0.81) TNKSTNKS2CYP1A1CYP1B1GUSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951075-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2018-04-24 US disclosed
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof Janssen Sciencies Ireland UC (IE) 2016-06-09 US disclosed
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof Janssen Sciencies Ireland UC (IE) 2016-06-09 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 (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-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof HCCS, HAVCR2, MAVS TNKS 355/4885TNKS2 892/4885CYP1A1 1829/4885

“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.