SCHEMBL14214022

SCHEMBL14214022

CNC(=O)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.55
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
PLAU P00749 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 0.46
HDAC6 Q9UBN7 3/20 0.45
HDAC1 Q13547 1/20 0.45
PDK2 Q15119 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC2 Q92769 1/20 0.44
NOTUM Q6P988 1/20 0.44
ACSS2 Q9NR19 1/20 0.44
PTK2 Q05397 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
THRB P10828 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
SCHEMBL13407792 0.86 TAS1R3 (0.59) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6416718 0.83 KIF11 (0.53) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL17596247 0.83 KCNQ3 (0.53) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29620917 0.83 KCNQ3 (0.53) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL11696906 0.81 CFTR (0.49) KIF11PLAUHDAC6HDAC1PDK2
SCHEMBL313169 0.80 KIF11 (0.75) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL531941 0.80 CES2 (0.59) KCNQ3KCNQ2KCNE1KCNQ1PLAU
SCHEMBL30147734 0.80 CES2 (0.59) KCNQ3KCNQ2KCNE1KCNQ1PLAU
SCHEMBL3830811 0.79 NOTUM (0.69) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21055125 0.79 P4HB (0.46) PLAUTAS1R3TAS1R1TAS1R2HDAC6

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-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 EP disclosed
US-20130177529-A1 Pyrazole Compounds VIVOQUEST, INC. 2013-07-11 US disclosed
US-8329703-B2 Pyrazole compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-12-11 US disclosed
US-8329703-B2 Pyrazole compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-12-11 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-20130177529-A1 Pyrazole Compounds MAVS, EIF2AK2, ZC3HAV1 KIF11 2516/4885KCNQ3 3269/4885KCNQ2 4253/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 KIF11 3961/4885KCNQ3 3548/4885KCNQ2 3674/4885

“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.