SCHEMBL14770747

SCHEMBL14770747

CCCC#Cc1cc(C(=O)OCC)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ GABRA1 P14867 8/20 0.39
▸ GABRG2 P18507 8/20 0.39
▸ GABRB3 P28472 8/20 0.39
▸ GABRA5 P31644 8/20 0.39
▸ GABRA3 P34903 8/20 0.39
▸ GABRA2 P47869 8/20 0.39
▸ GABRA4 P48169 8/20 0.39
▸ GABRA6 Q16445 8/20 0.39
▸ GABRP O00591 6/20 0.39
▸ GABRD O14764 6/20 0.39
▸ GABRB1 P18505 6/20 0.39
▸ GABRB2 P47870 6/20 0.39
▸ GABRE P78334 6/20 0.39
▸ GABRG1 Q8N1C3 6/20 0.39
▸ GABRG3 Q99928 6/20 0.39
▸ GABRQ Q9UN88 6/20 0.39
▸ CNR2 P34972 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
SCHEMBL14770746 0.82 KMO (0.38) —
SCHEMBL13472439 0.77 MEN1 (0.39) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL10228362 0.74 CYP1A2 (0.50) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL294157 0.72 CYP1A2 (0.49) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL549184 0.71 CYP1A2 (0.47) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL13472450 0.71 ALDH1A1 (0.47) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL11528320 0.69 CYP1A2 (0.45) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL25276749 0.68 CYP1A2 (0.44) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL29537507 0.68 CYP1A2 (0.44) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL19584584 0.68 CYP1A2 (0.48) CTSLCTSBCYP1A2GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920048-B2 Substituted pyrimidines for inhibiting Raf kinase activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-03-20 — — US disclosed
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-08 — — US disclosed
US-9556177-B2 Substituted 1,3-thiazoles as synthetic intermediates for preparation of Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-31 — — US disclosed
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS XOMA (US) LLC 2015-03-19 — — US disclosed
US-8802657-B2 Compounds useful as Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-12 — — US disclosed
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2013-03-14 — — 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 (3 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-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors BRAF, RAF1, ARAF CTSL 4365/4885CTSB 3093/4885CYP1A2 4510/4885
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CTSL 4365/4885CTSB 3093/4885CYP1A2 4510/4885
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CTSL 4365/4885CTSB 3093/4885CYP1A2 4510/4885

“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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