SCHEMBL13879259

SCHEMBL13879259

Nc1cc(Nc2ccc(Cl)cc2)nc(N)n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.71
▸ RAB9A P51151 2/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ MAPT P10636 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ PABPC1 P11940 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ AGPAT2 O15120 13/20 0.63
▸ CA12 O43570 1/20 0.62
▸ CA1 P00915 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ CA9 Q16790 1/20 0.62
▸ POLA1 P09884 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ SCN9A Q15858 1/20 0.53

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
SCHEMBL2410666 0.91 NPC1 (0.77) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL14028305 0.82 RAB9A (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL15305715 0.81 RAB9A (0.69) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL30488025 0.81 RAB9A (0.69) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13064960 0.79 POLA1 (0.57) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13880211 0.78 AGPAT2 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13880274 0.78 AGPAT2 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL1886893 0.77 NPC1 (0.62) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13880171 0.77 AGPAT2 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13880351 0.76 AGPAT2 (0.72) NPC1RAB9ACYP1A2CYP3A4CYP2C19

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-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 — — US disclosed
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 — — 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-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L NPC1 3069/4885RAB9A 2538/4885CYP1A2 695/4885

“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.

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