SCHEMBL6239456

SCHEMBL6239456

CSc1nc(C#N)c(I)c(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6244063 0.74 CYP1A2 (0.39) CYP1A2CYP2C19LMNA
SCHEMBL17119866 0.70 CYP1A2 (0.36) CYP1A2CYP2C19
SCHEMBL2774975 0.65 HTT (0.32) LMNA
SCHEMBL6242887 0.64 HCAR2 (0.35) CYP1A2CYP2C19
SCHEMBL16123629 0.62 CYP1A2 (0.41) CYP1A2CYP2C19
SCHEMBL6165758 0.62 KMT2A (0.44) CYP1A2CYP2C19LMNAMAPK1
SCHEMBL21020610 0.62 CYP1A2 (0.41) CYP1A2CYP2C19LMNA
SCHEMBL29905989 0.62 CYP1A2 (0.41) CYP1A2CYP2C19LMNA
SCHEMBL28889638 0.61 HSP90AB1 (0.34)
SCHEMBL29994429 0.61 HSP90AB1 (0.34)

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
WO-2005019207-A1 FUNGICIDAL PYRIMIDINE DERIVATIVES NIPPON SODA CO. LTD. (JP) 2005-03-03 WO disclosed
US-20050038041-A1 Fungicidal pyrimidine derivatives NIPPON SODA CO., LTD. (JP) 2005-02-17 US disclosed
US-6818631-B1 4-FLUOROALKYL SUBSTITUENT; AGRICULTURE, HORTICULTURE; PLANT DISEASE CONTROL NIPPON SODA CO. LTD. (JP) 2004-11-16 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 (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-20050038041-A1 Fungicidal pyrimidine derivatives CBR3, CBR1, TH CYP1A2 33/4885CYP2C19 86/4885LMNA 3540/4885

“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.