SCHEMBL5264550

SCHEMBL5264550

COC(=O)C(Cc1ccccc1)Nc1nccc(N(C)c2ccnc(-c3ccccc3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ NPR3 P17342 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ TACR3 P29371 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PPARG P37231 1/20 0.40

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
SCHEMBL5264545 1.00 GAA (0.41) GAARAB9AMAPK14ATMALDH1A1
SCHEMBL5261647 0.91 NPR3 (0.47) MAPK14ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5913860 0.91 NPR3 (0.47) MAPK14ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5914452 0.89 MAPK14 (0.41) MAPK14ALDH1A1CYP3A4NPR3USP2
SCHEMBL5913842 0.88 MAPK14 (0.41) MAPK14ALDH1A1CYP3A4NPR3USP2
SCHEMBL5913824 0.88 MAPK14 (0.41) MAPK14ALDH1A1CYP3A4NPR3USP2
SCHEMBL5914396 0.82 KDM4E (0.42) RAB9AMAPK14ALDH1A1CYP3A4CYP2C9
SCHEMBL5914448 0.81 CIT (0.44) ALDH1A1CYP3A4USP2CYP1A2CYP2D6
SCHEMBL5914274 0.80 MAPK14 (0.37) MAPK14ALDH1A1CYP3A4CYP2C19USP2
SCHEMBL5914170 0.80 ALDH1A1 (0.38) MAPK14ALDH1A1CYP3A4CYP2C19USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 — — EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 — — WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP GAA 2288/4885RAB9A 1750/4885MAPK14 2620/4885

“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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