SCHEMBL5040917

SCHEMBL5040917

CCCCCOc1cnc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
DHFR P00374 6/20 0.48
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NR5A1 Q13285 1/20 0.46
LTA4H P09960 1/20 0.44

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
SCHEMBL15601113 0.94 RAB9A (0.53) TSHRDHFRPKMKDM4ENPC1
SCHEMBL18937662 0.79 NR5A1 (0.50) TSHRKDM4ENPC1RAB9ANR5A1
SCHEMBL3711651 0.78 TDP1 (0.50) TSHRDHFRKDM4ENPC1RAB9A
SCHEMBL8123046 0.78 NR5A1 (0.48) TSHRKDM4ENPC1RAB9ANR5A1
SCHEMBL15740900 0.78 NR5A1 (0.48) TSHRKDM4ENPC1RAB9ANR5A1
SCHEMBL31538780 0.77 NR5A1 (0.53) TSHRKDM4ENPC1RAB9ANR5A1
SCHEMBL31201034 0.77 TSHR (0.38) TSHRDHFRPKM
SCHEMBL5040910 0.76 LMNA (0.46) TSHRNPC1RAB9ANR5A1
SCHEMBL29093458 0.75 NR5A1 (0.50) TSHRKDM4ENPC1NR5A1LTA4H
SCHEMBL16963979 0.75 EBP (0.47) TSHRKDM4ELTA4H

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 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 (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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA TSHR 1417/4885DHFR 1384/4885PKM 3513/4885

“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.