SCHEMBL938764

SCHEMBL938764

FC(F)(F)c1cccn2cncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.43
QPCT Q16769 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TDO2 P48775 2/20 0.41
TBXAS1 P24557 1/20 0.40
CA2 P00918 1/20 0.38
SRC P12931 1/20 0.35

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
SCHEMBL3227739 0.85 QPCT (0.48) IDO1QPCTQPCTLCYP1A2CYP3A4
SCHEMBL20689814 0.81 QPCT (0.46) IDO1QPCTQPCTLCYP1A2ALDH1A1
SCHEMBL21718777 0.76 QPCT (0.42) IDO1QPCTQPCTLTDO2TBXAS1
SCHEMBL4550275 0.71 SRC (0.51) IDO1QPCTQPCTLALDH1A1TDO2
SCHEMBL4219167 0.71 IDO1 (0.47) IDO1QPCTQPCTLCYP1A2CYP3A4
SCHEMBL334311 0.71 IDO1 (0.47) IDO1QPCTQPCTLCYP1A2CYP3A4
SCHEMBL9934392 0.71 IDO1 (0.47) IDO1QPCTQPCTLCYP1A2TDO2
SCHEMBL661822 0.71 IDO1 (0.47) IDO1QPCTQPCTLCYP1A2TDO2
SCHEMBL4855392 0.71 IDO1 (0.47) IDO1QPCTQPCTLCYP1A2TDO2
SCHEMBL18569895 0.71 IDO1 (0.47) IDO1QPCTQPCTLCYP1A2TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464645-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Palo Alto, Inc. (US) 2012-06-20 EP claimed
WO-2011014462-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-02-03 WO claimed
US-20250368625-A1 PIPERAZINES Grünenthal GmbH (DE) 2025-12-04 US disclosed
EP-4323358-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER Hotspot Therapeutics, Inc. (US) 2024-02-21 EP disclosed
WO-2022221704-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER HOTSPOT THERAPEUTICS, INC. (US) 2022-10-20 WO disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-8754103-B2 2014-06-17 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 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 (3 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-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 IDO1 3743/4885QPCT 727/4885QPCTL 1861/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 IDO1 3743/4885QPCT 727/4885QPCTL 1861/4885
US-20250368625-A1 PIPERAZINES SSTR4, SSTR5, SSTR2 IDO1 2531/4885QPCT 1014/4885QPCTL 1261/4885

“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.