SCHEMBL13663255

SCHEMBL13663255

CNc1cnc(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HCRTR1 O43613 8/20 0.37
▸ MAPT P10636 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ BCDIN3D Q7Z5W3 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ HCAR3 P49019 1/20 0.33

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
SCHEMBL12690256 0.80 HCAR3 (0.34) HCAR3
SCHEMBL20333838 0.79 IDH1 (0.37) TRPV4HCRTR1BCDIN3DTRPV1
SCHEMBL18372787 0.78 TRPV4 (0.39) TRPV4KDM4EHCRTR1MAPTBCDIN3D
SCHEMBL16626827 0.78 HCAR3 (0.44) KDM4EMAPTEGFRHCAR3
SCHEMBL24527461 0.75 HRH3 (0.39) KDM4EHCRTR1BCDIN3DHCAR3
SCHEMBL13117743 0.75 HDAC4 (0.52) KDM4EHCRTR1GAA
SCHEMBL30658431 0.74 KDM4E (0.41) KDM4EHCRTR1BCDIN3DHCAR3
SCHEMBL19203407 0.74 KDM4E (0.41) KDM4EHCRTR1BCDIN3DHCAR3
SCHEMBL19203405 0.74 KDM4E (0.41) KDM4EHCRTR1BCDIN3DHCAR3
SCHEMBL116298 0.72 RAB9A (0.49) MAPTEGFRGAAHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008768-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2026-01-08 — — US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 — — EP disclosed
US-20090270416-A1 N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS Chk1 INHIBITORS FOR THE TREATMENT OF CANCER SENTINEL ONCOLOGY LIMITED (GB) 2009-10-29 — — 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-20260008768-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NOD1, NLRP3, NOD2 TRPV4 2919/4885KDM4E 4547/4885HCRTR1 782/4885
US-20090270416-A1 N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS Chk1 INHIBITORS FOR THE TREATMENT OF CANCER CHEK1, CHEK2, CDK1 TRPV4 3614/4885KDM4E 735/4885HCRTR1 3920/4885

“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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