SCHEMBL12858586

SCHEMBL12858586

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C)c2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.64
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ BRAF P15056 11/20 0.60
▸ ALDH1A1 P00352 1/20 0.59
▸ EGFR P00533 9/20 0.57
▸ ABL1 P00519 1/20 0.54
▸ CSF1R P07333 1/20 0.54

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
SCHEMBL18775250 0.90 KIT (0.78) KITBRAFEGFRABL1CSF1R
SCHEMBL18775268 0.90 KIT (0.75) KITBRAFEGFRABL1CSF1R
SCHEMBL10207665 0.87 KMT2A (0.58) NPC1RAB9AALDH1A1
SCHEMBL29856195 0.87 KIT (0.79) KITBRAFABL1CSF1R
SCHEMBL28439198 0.87 KIT (0.79) KITBRAFABL1CSF1R
SCHEMBL12871531 0.87 KIT (0.84) KITBRAFEGFRABL1
SCHEMBL17537391 0.87 KIT (0.80) KITBRAFEGFRABL1CSF1R
SCHEMBL29856172 0.87 BRAF (0.66) KITNPC1RAB9ABRAFALDH1A1
SCHEMBL21400972 0.86 NPC1 (0.79) KITNPC1RAB9AALDH1A1EGFR
SCHEMBL15381992 0.86 BTK (0.69) KITNPC1RAB9AALDH1A1EGFR

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-20110039845-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-02-17 — — 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-20110039845-A1 2-AMINOQUINAZOLINE DERIVATIVE H1-2, H1-3, H1-0 KIT 3810/4885NPC1 2656/4885RAB9A 37/4885

“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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