SCHEMBL3578633

SCHEMBL3578633

CC(Nc1nc(N2CCCC2=O)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LRRK2 Q5S007 1/20 0.32
IDH1 O75874 4/20 0.32
MGAT2 Q10469 2/20 0.31
MOGAT2 Q3SYC2 7/20 0.31
SYK P43405 1/20 0.30
P2RX7 Q99572 1/20 0.30
ACAT1 P24752 1/20 0.30
HTR1D P28221 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
DHODH Q02127 2/20 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
SCHEMBL13114683 1.00 P2RX3 (0.32) P2RX3FFAR1FFAR4LRRK2IDH1
SCHEMBL13135162 0.89 MOGAT2 (0.36) P2RX3FFAR1FFAR4IDH1MOGAT2
SCHEMBL14561498 0.77 IDH1 (0.31) IDH1
SCHEMBL14561500 0.76
SCHEMBL2833339 0.76 IDH1 (0.36) IDH1
SCHEMBL2833335 0.76 IDH1 (0.36) IDH1
SCHEMBL4019944 0.76 IDH1 (0.36) IDH1
SCHEMBL2831911 0.75 HSD17B10 (0.36) IDH1
SCHEMBL2840076 0.75 CD38 (0.35) IDH1
SCHEMBL2840079 0.75 CD38 (0.35) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820647-B2 2-substituted pyrimidines and their use as pesticides BASF AKTIENGESELLSCHAFT (DE) 2010-10-26 US disclosed
US-20080176831-A1 2-Substituted Pyrimidines and Their Use as Pesticides BASF AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
EP-1751132-B1 2-SUBSTITUTED PYRIMIDINES AND THEIR USE AS PESTICIDES BASF SE (DE) 2008-03-26 EP disclosed
EP-1751132-A1 2-SUBSTITUTED PYRIMIDINES AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 2007-02-14 EP disclosed
WO-2005113538-A1 2-SUBSTITUTED PYRIMIDINES AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 2005-12-01 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-20080176831-A1 2-Substituted Pyrimidines and Their Use as Pesticides CBR1, CBR3, C1R P2RX3 8/4885FFAR1 875/4885FFAR4 2650/4885

“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.