SCHEMBL6897351

SCHEMBL6897351

c1cnc(-c2nncs2)nc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.37
FBP1 P09467 1/20 0.36
TERT O14746 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
AQP4 P55087 1/20 0.31

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
SCHEMBL3068196 0.76 FBP1 (0.48) FBP1CYP1A2TSHR
SCHEMBL29945025 0.74 KDM4E (0.59) CYP19A1CYP1A2TSHRKDM4ENPC1
SCHEMBL9905290 0.74 KDM4E (0.59) CYP19A1CYP1A2TSHRKDM4ENPC1
SCHEMBL25305371 0.70 MAP4K4 (0.42) MAPT
SCHEMBL31150860 0.70 MAP4K4 (0.42) MAPT
SCHEMBL24922738 0.67 RXRA (0.36) KDM4EMAPT
SCHEMBL572719 0.67 PDPK1 (0.45) CYP1A2KDM4ENPC1MAPTRAB9A
SCHEMBL15173885 0.66 HPGDS (0.33) FBP1
SCHEMBL969098 0.66 NISCH (0.39) CYP19A1FBP1CYP1A2KDM4E
SCHEMBL1680218 0.64 CYP2A6 (0.55) CYP19A1CYP1A2KDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4436968-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2024-10-02 EP disclosed
WO-2023081441-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2023-05-11 WO disclosed
US-6699853-B2 PROTECTING USEFUL PLANTS AGAINST THE UNDESIRABLE ACTION OF HARMFUL INSECTS, ACARIDS AND NEMATODES, HOECHST SCHERING AGREVO GMBH (DE) 2004-03-02 US disclosed
US-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides HARMSEN SVEN (DE) 2003-08-28 US disclosed
US-6521610-B2 For controlling harmful insects, acarina and nematodes HOECHST SCHERING AGREVO GMBH (DE) 2003-02-18 US disclosed
US-20020013326-A1 4-Haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclyl-pyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides TIEBES JORG (DE) 2002-01-31 US disclosed
US-6239160-B1 4-haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclylpyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides HOECHST SCHERING AGREVO GMBH (DE) 2001-05-29 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 (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-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HCK, HPD CYP19A1 3546/4885FBP1 2309/4885TERT 2460/4885
US-20020013326-A1 4-Haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclyl-pyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HAX1, HDHD5 CYP19A1 3676/4885FBP1 2726/4885TERT 1904/4885

“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.