SCHEMBL5042475

SCHEMBL5042475

CCCCN(C)c1cnc(N)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
HRH3 Q9Y5N1 2/20 0.38
HCAR3 P49019 1/20 0.37
PTPN11 Q06124 1/20 0.36
POLB P06746 1/20 0.35
LATS1 O95835 1/20 0.34
LATS2 Q9NRM7 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33

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
SCHEMBL5133492 0.93 AR (0.39) ARHRH3HCAR3POLBMAPT
SCHEMBL21769321 0.81 PIK3CD (0.39) HRH3HCAR3POLBGABRPGABRD
SCHEMBL6469274 0.81 MAPT (0.36) ARHCAR3GABRPGABRDGABRA1
SCHEMBL5037391 0.79 NOS3 (0.38) HRH3HCAR3PTPN11POLBMAPT
SCHEMBL2792146 0.77 HCAR3 (0.46) ARHRH3HCAR3PTPN11POLB
SCHEMBL21318032 0.77 AR (0.49) ARHRH3HCAR3PTPN11POLB
SCHEMBL2789944 0.77 ADK (0.40) HRH3POLB
SCHEMBL5042470 0.76 HCAR3 (0.46) ARHCAR3PTPN11POLBAOC3
SCHEMBL6468487 0.74 HRH3 (0.37) ARHRH3PTPN11POLBLATS1
SCHEMBL11625025 0.72 NOS3 (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA AR 2835/4885HRH3 296/4885HCAR3 748/4885

“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.