SCHEMBL3108406

SCHEMBL3108406

Cc1nc(Cl)c(-c2ccc(C(F)(F)F)cc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
CXCR2 P25025 1/20 0.46
HPGD P15428 3/20 0.42
SLC11A2 P49281 1/20 0.42
S1PR2 O95136 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TNF P01375 1/20 0.41
P2RX3 P56373 1/20 0.41
AR P10275 1/20 0.41
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GNRHR P30968 1/20 0.40

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
SCHEMBL13248644 0.79 MDM2 (0.51) CFTRALDH1A1MAPK1TSHRHSD17B10
SCHEMBL14159142 0.77 SMN1; SMN2 (0.55) CFTRALDH1A1MEN1KMT2APOLB
SCHEMBL3115397 0.73 ALDH1A1 (0.50) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL6652679 0.73 CFTR (0.52) CFTRALDH1A1MEN1KMT2APOLB
SCHEMBL5756856 0.73 CFTR (0.54) CFTRALDH1A1MEN1KMT2APOLB
SCHEMBL6631450 0.71 KMT2A (0.49) CFTRALDH1A1MEN1KMT2APOLB
SCHEMBL19032847 0.71 CFTR (1.00) CFTRALDH1A1LMNA
SCHEMBL6468214 0.71 AR (0.78) ALDH1A1KDM4EARLMNASMN1; SMN2
SCHEMBL12343938 0.70 CFTR (0.47) CFTRALDH1A1KDM4EP2RX3SMN1; SMN2
SCHEMBL30928902 0.70 CFTR (0.63) CFTRALDH1A1MEN1KMT2APOLB

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-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
EP-1896428-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS Novartis AG (CH) 2008-03-12 EP disclosed
WO-2006136442-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS NOVARTIS AG (CH) 2006-12-28 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-20100179127-A1 PYRIMIDINE DERIVATIVES DPYD, NUDT1, HPRT1 CFTR 1638/4885ALDH1A1 1213/4885MAPK1 2161/4885

“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.