Sugi Predict

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SCHEMBL5757868

SCHEMBL5757868

Cc1csc(-c2cc(=O)n(C)c3ccc(C(=O)c4ccc(Cl)cc4)cc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP3A4 P08684 5/20 0.38
▸ FNTA P49354 7/20 0.38
▸ FNTB P49356 7/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GABRA1 P14867 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
SCHEMBL5758654 0.85 NPC1 (0.47) MAPTSMN1; SMN2HSD17B10TDP1CYP3A4
SCHEMBL5516658 0.80 HSD17B10 (0.57) MAPTSMN1; SMN2LMNATSHRNPSR1
SCHEMBL5757851 0.78 MAPT (0.39) MAPTSMN1; SMN2LMNATSHRMAPK1
SCHEMBL1538260 0.78 FNTA (0.56) SMN1; SMN2HSD17B10CYP3A4FNTAFNTB
SCHEMBL30419724 0.78 FNTA (0.56) SMN1; SMN2HSD17B10CYP3A4FNTAFNTB
SCHEMBL6866186 0.76 FNTA (0.47) SMN1; SMN2MAPK1HSD17B10CYP3A4FNTA
SCHEMBL13573663 0.76 FNTA (0.47) SMN1; SMN2HSD17B10CYP3A4FNTAFNTB
SCHEMBL1644048 0.75 FNTA (0.48) MAPTSMN1; SMN2LMNATSHRHSD17B10
SCHEMBL5722628 0.75 FNTA (0.46) MAPTSMN1; SMN2LMNATSHRHSD17B10
SCHEMBL5755282 0.75 FNTA (0.71) CYP3A4FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135769-A1 Farnesyl transferase inhibiting 4-heterocyclyl-quinoline and quinazoline derivatives ANGIBAUD PATRICK R 2006-06-22 — — US disclosed
EP-1351954-B1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2006-05-03 — — EP disclosed
US-20040067968-A1 Farnesyl transferase inhibiting 4-heterocyclyl quinoline and quinazoline JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 — — US disclosed
EP-1351954-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-15 — — EP disclosed
WO-2002051834-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-07-04 — — WO 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 (2 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-20040067968-A1 Farnesyl transferase inhibiting 4-heterocyclyl quinoline and quinazoline FNTA, FNTB, ACAT2 MAPT 3865/4885SMN1; SMN2 4876/4885CYP1A2 158/4885
US-20060135769-A1 Farnesyl transferase inhibiting 4-heterocyclyl-quinoline and quinazoline derivatives FNTA, FNTB, RABGGTB MAPT 3106/4885SMN1; SMN2 4876/4885CYP1A2 122/4885

“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.