SCHEMBL13097147

SCHEMBL13097147

Cc1cncc(-c2cnccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.44
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 2/20 0.41
CYP1A2 P05177 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PIM1 P11309 1/20 0.39
CYP3A4 P08684 1/20 0.38
DHODH Q02127 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8617736 0.83 CYP2D6 (0.43) CYP2A6CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL10964154 0.80 CYP2D6 (0.46) CYP2A6CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19569868 0.78 CYP2A6 (0.66) CYP2A6CYP11B2CYP11B1PIM1PIM2
SCHEMBL26415549 0.78 CYP2A6 (0.40) CYP2A6CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL30261430 0.77 CYP2A6 (0.56) CYP2A6CYP11B2CYP11B1CYP1A2HCRTR1
SCHEMBL4582651 0.77 CYP2A6 (0.54) CYP2A6CYP3A4PIM2
SCHEMBL5144659 0.77 CYP2A6 (0.56) CYP2A6CYP11B2CYP11B1CYP1A2HCRTR1
SCHEMBL469126 0.77 HCRTR1 (0.36) CYP2A6CYP11B2CYP11B1HCRTR1HCRTR2
SCHEMBL30338515 0.76 PIM1 (0.43) CYP2D6CYP19A1CYP2C9CYP2C19CYP11B2
SCHEMBL7880401 0.76 HCRTR1 (0.42) CYP2A6HCRTR1HCRTR2PIM1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293769-B2 CSF-1R inhibitors, compositions, and methods of use NOVARTIS AG (CH) 2012-10-23 US disclosed
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 CYP2A6 3442/4885CYP2D6 3619/4885CYP19A1 1639/4885

“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.