SCHEMBL4892520

SCHEMBL4892520

Nc1nc(N)c2sc3nc(-c4ccccc4)ccc3c2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 4/20 0.72
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ KDM4E B2RXH2 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 5/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TLR9 Q9NR96 2/20 0.43
▸ CLK1 P49759 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ATM Q13315 1/20 0.43

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
SCHEMBL4901470 0.84 LIMK1 (1.00) LIMK1NPC1RAB9AKDM4EHSD17B10
SCHEMBL4902497 0.82 MEN1 (0.53) LIMK1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4899997 0.79 MAPT (0.50) LIMK1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL4903044 0.77 MAPT (0.70) LIMK1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4893147 0.74 MAPT (0.66) LIMK1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL19805093 0.73 LIMK1 (0.53) LIMK1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13040779 0.73 NLRP3 (0.61) LIMK1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL19805090 0.71 NPC1 (0.61) LIMK1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4901029 0.71 HPGD (0.60) KDM4ESMN1; SMN2HSD17B10MAPTALDH1A1
SCHEMBL4902570 0.70 LIMK1 (0.74) LIMK1NPC1RAB9AKDM4EHSD17B10

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-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 — — US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
EP-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 — — EP disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 — — US disclosed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 — — 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-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 LIMK1 4013/4885NPC1 2575/4885RAB9A 3123/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 LIMK1 4013/4885NPC1 2575/4885RAB9A 3123/4885

“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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