SCHEMBL13316097

SCHEMBL13316097

CCc1n[nH]c2ccc(Nc3nc(-c4ccccc4)nc4ccccc34)cc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 16/20 0.55
▸ MAPT P10636 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ABCB1 P08183 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ABCC1 P33527 2/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ GSK3A P49840 2/20 0.54
▸ GSK3B P49841 2/20 0.54
▸ PDE5A O76074 3/20 0.53
▸ AURKA O14965 1/20 0.53
▸ SRC P12931 1/20 0.53
▸ EIF2AK2 P19525 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ KDM1A O60341 1/20 0.52

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
SCHEMBL3580233 0.91 ABCG2 (0.63) ABCG2MAPTTP53ABCB1SMN1; SMN2
SCHEMBL3575009 0.86 GRM4 (0.45) ABCG2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4864882 0.76 ABCG2 (0.73) ABCG2MAPTTP53LMNAABCC1
SCHEMBL29395013 0.76 TGFBR1 (0.71) ABCG2MAPTTP53LMNAMEN1
SCHEMBL13154697 0.76 TGFBR1 (0.71) ABCG2MAPTTP53LMNAMEN1
SCHEMBL882601 0.75 ABCG2 (0.60) ABCG2MAPTTP53LMNAABCB1
SCHEMBL786325 0.75 ABCG2 (0.61) ABCG2MAPTTP53LMNASMN1; SMN2
SCHEMBL1062778 0.75 TGFBR1 (0.71) ABCG2MAPTTP53LMNAABCB1
SCHEMBL3587569 0.74 TGFBR1 (0.69) ABCG2MEN1KMT2APDE5AAURKB
SCHEMBL785611 0.74 ABCG2 (0.60) ABCG2MAPTLMNAMEN1KMT2A

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-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 — — US disclosed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 — — 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-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ABCG2 3107/4885MAPT 2039/4885TP53 2827/4885

“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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