SCHEMBL13097155

SCHEMBL13097155

Cc1cnc(-c2cccnc2)c(-c2cccnc2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.70
PTGS1 P23219 3/20 0.70
CYP2A6 P11509 7/20 0.54
CYP3A4 P08684 3/20 0.53
MAP2K4 P45985 1/20 0.49
CYP2E1 P05181 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
ACLY P53396 2/20 0.44
PIM1 P11309 1/20 0.44
CYP11B1 P15538 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPY5R Q15761 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
SCHEMBL30473695 0.83 PTGS1 (0.52) PTGS2PTGS1CYP2A6CYP3A4CYP2E1
SCHEMBL4888583 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4888586 0.82 PTGS2 (0.80) PTGS2PTGS1CYP2A6CYP3A4CYP2C9
SCHEMBL6172129 0.79 CCR1 (0.53) PTGS2PTGS1CYP2A6CYP3A4CYP2E1
SCHEMBL13086838 0.79 PTGS2 (0.48) PTGS2PTGS1CYP2A6CYP3A4MAP2K4
SCHEMBL10205830 0.78 KMT2A (0.53) PTGS2PTGS1CYP2A6ALDH1A1CYP1A2
Toluene SCHEMBL28031482 0.77 CYP2A6 (0.60) PTGS2PTGS1CYP2A6CYP3A4MAP2K4
Ethane SCHEMBL28235431 0.77 PTGS2 (0.65) PTGS2PTGS1CYP2A6CYP3A4CYP2E1
SCHEMBL3424504 0.77 CYP2A6 (0.56) CYP2A6CYP3A4MAP2K4CYP2E1CYP2D6
SCHEMBL25871383 0.77 CYP2A6 (0.56) PTGS2CYP2A6CYP3A4MAP2K4CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 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-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 PTGS2 834/4885PTGS1 314/4885CYP2A6 3442/4885

“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.