SCHEMBL14636103

SCHEMBL14636103

FC(F)(F)c1nc(-c2cccnc2)sc1-c1ccn(-c2ncccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
HTT P42858 3/20 0.36
CYP19A1 P11511 2/20 0.36
AXL P30530 1/20 0.36
PBRM1 Q86U86 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGS2 P35354 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL12278299 0.84 CYP3A4 (0.44) ALOX5RAB9ANPC1TRPM8DCTPP1
SCHEMBL15999644 0.81 ALOX5 (0.40) ALOX5RAB9ANPC1TRPM8DCTPP1
SCHEMBL15999643 0.80 CYP2A6 (0.53) ALOX5RAB9ANPC1DCTPP1CYP19A1
SCHEMBL14654152 0.78 CYP19A1 (0.45) ALOX5RAB9ANPC1TRPM8CYP19A1
SCHEMBL12279509 0.77 KDM4E (0.48) RAB9ANPC1DCTPP1HTTCYP19A1
SCHEMBL12279301 0.77 MEN1 (0.41) ALOX5RAB9ANPC1TRPM8HTT
SCHEMBL12278502 0.76 HPGDS (0.50) RAB9ANPC1DCTPP1HTTCYP3A4
SCHEMBL14654173 0.75 TRPM8 (0.41) ALOX5TRPM8CYP3A4CYP2C19MEN1
SCHEMBL14636146 0.74 ALOX5 (0.44) ALOX5RAB9ANPC1CYP19A1AXL
SCHEMBL14635624 0.74 ALOX5 (0.50) ALOX5RAB9ANPC1HTTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249024-A1 Pesticidal Methods Using Substituted 3-pyridyl Thiazole Compounds and Derivatives for Combating Animal Pests II BASF SE (DE) 2014-09-04 US disclosed
US-20140249024-A1 Pesticidal Methods Using Substituted 3-pyridyl Thiazole Compounds and Derivatives for Combating Animal Pests II BASF SE (DE) 2014-09-04 US disclosed
US-20140249024-A1 Pesticidal Methods Using Substituted 3-pyridyl Thiazole Compounds and Derivatives for Combating Animal Pests II BASF SE (DE) 2014-09-04 US disclosed
EP-2731426-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS II BASF SE (DE) 2014-05-21 EP disclosed
WO-2013010947-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS II BASF SE (DE) 2013-01-24 WO disclosed
WO-2013010947-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS II BASF SE (DE) 2013-01-24 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-20140249024-A1 Pesticidal Methods Using Substituted 3-pyridyl Thiazole Compounds and Derivatives for Combating Animal Pests II PTMS, PNPO, THOP1 ALOX5 1099/4885RAB9A 2297/4885NPC1 3308/4885

“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.