SCHEMBL16076597

SCHEMBL16076597

COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2F)cc(N)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.38
SDHB P21912 2/20 0.38
PDE4B Q07343 8/20 0.35
PDE11A Q9HCR9 8/20 0.35
MAPT P10636 1/20 0.35
NQO2 P16083 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 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
SCHEMBL16076576 0.88 CFTR (0.38) CFTRSDHBPDE4BPDE11AMAPT
SCHEMBL16046988 0.87 NQO2 (0.37) CFTRNQO2TUBB4ATUBBTUBA3C
SCHEMBL24984359 0.82 MAPT (0.38) CFTRSDHBMAPTNQO2KDM4E
SCHEMBL3327037 0.82 CFTR (0.48) CFTRNQO2KDM4EPKMRCE1
SCHEMBL16044529 0.81 CFTR (0.41) CFTRMAPTNQO2ALDH1A1L3MBTL1
SCHEMBL3327926 0.81 CFTR (0.41) CFTRMAPTNQO2
SCHEMBL24986654 0.81 CFTR (0.41) CFTRMAPTNQO2
SCHEMBL24984447 0.81 TUBB4A (0.40) SDHBPDE4BPDE11AMAPTTUBB4A
SCHEMBL30185113 0.81 TUBB4A (0.40) SDHBPDE4BPDE11AMAPTTUBB4A
SCHEMBL9938104 0.81 ALPL (0.41) MAPTNQO2KDM4EPKMRCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10765114-B2 4-amino-6-(pyridyl and 2-substitutedphenyl)-picolinates and 6-amino-2-(pyridyl and 2-substitutedphenyl)-pyrimidine-4-carboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2020-09-08 US disclosed
WO-2014150809-A1 NOVEL 4-AMINOPYRIDINE AND 6-AMINOPYRIMIDINE CARBOXYLATES AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-25 WO disclosed
US-20140274703-A1 NOVEL 4-AMINO-6-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PICOLINATES AND 6-AMINO-2-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140274703-A1 NOVEL 4-AMINO-6-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PICOLINATES AND 6-AMINO-2-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 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-10765114-B2 4-amino-6-(pyridyl and 2-substitutedphenyl)-picolinates and 6-amino-2-(pyridyl and 2-substitutedphenyl)-pyrimidine-4-carboxylates and their use as herbicides DDT, P2RX6, PLPBP CFTR 4603/4885SDHB 2697/4885PDE4B 935/4885
US-20140274703-A1 NOVEL 4-AMINO-6-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PICOLINATES AND 6-AMINO-2-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DDT, PLPBP, P2RX6 CFTR 4695/4885SDHB 2907/4885PDE4B 765/4885

“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.