SCHEMBL9288749

SCHEMBL9288749

CC(C)(Oc1ccc(OC(F)(F)F)cc1)C(=O)c1cncnc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 17/20 0.51
▸ KCNH2 Q12809 1/20 0.45
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL10465341 0.85 PPARA (0.57) KCNH2
SCHEMBL12700407 0.80 NPC1 (0.56) ABL1KCNH2NPC1RAB9A
SCHEMBL10466908 0.73 PPARA (0.43) —
SCHEMBL11433073 0.72 CCR6 (0.43) ABL1KCNH2TRPV1
SCHEMBL24143786 0.72 TRPV1 (0.54) NPC1RAB9ATRPV1
SCHEMBL25454601 0.72 NOS3 (0.46) ABL1KCNH2SCN10A
SCHEMBL9886318 0.71 CCR6 (0.42) ABL1KCNH2TRPV1
SCHEMBL17157370 0.71 ABL1 (0.49) ABL1NPC1RAB9A
SCHEMBL17157486 0.71 ABL1 (0.49) ABL1SCN10ANPC1RAB9A
SCHEMBL9772021 0.70 CYP1A2 (0.63) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646418-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PARASITIC AGENTS BAYER IP GMBH (DE) 2017-10-04 — — EP disclosed
EP-2646418-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PARASITIC AGENTS BAYER IP GMBH (DE) 2017-10-04 — — EP disclosed
US-9241487-B2 Pyrimidine derivatives and use thereof as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 — — US disclosed
US-9241487-B2 Pyrimidine derivatives and use thereof as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 — — US disclosed
US-9241487-B2 Pyrimidine derivatives and use thereof as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 — — US disclosed
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 — — US disclosed
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 — — US disclosed
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 — — US disclosed
EP-2646418-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-10-09 — — EP disclosed
WO-2012072547-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-06-07 — — WO disclosed
WO-2012072547-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-06-07 — — 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-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES TYMP, TYMS, UMPS ABL1 3618/4885KCNH2 3132/4885SCN10A 4833/4885

“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.

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