SCHEMBL6294533

SCHEMBL6294533

Cc1nc2c(c(-c3ccccc3)n1)CCN(C=O)C2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.54
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HRH4 Q9H3N8 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
SCHEMBL11982661 0.78 P2RX7 (0.52) P2RX7ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL183618 0.77 P2RX7 (0.53) P2RX7ALDH1A1MAPTKDM4EKMT2A
Hydrochloric Acid SCHEMBL6298078 0.76 P2RX7 (0.52) P2RX7ALDH1A1MAPTKDM4EKMT2A
SCHEMBL13639510 0.73 HTR2A (0.50) P2RX7ALDH1A1MAPTKDM4EMAPK1
SCHEMBL16034367 0.70 P2RX7 (1.00) P2RX7
SCHEMBL183957 0.70 HTR2C (0.74) HTR2AHTR2CHTR2B
SCHEMBL20184301 0.69 LMNA (0.55) P2RX7MAPTMAPK1
SCHEMBL183873 0.69 HTR2C (0.59) P2RX7HTR2AHTR2CHTR2B
SCHEMBL6293165 0.68 SORD (0.52) P2RX7
SCHEMBL6299110 0.67 SORD (0.44) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936600-B2 Sorbitol dehrydrogenase inhibitors PFIZER INC (US) 2005-08-30 — — US disclosed
US-6869943-B2 Sorbitol dehydrogenase inhibitors PFIZER INC (US) 2005-03-22 — — US disclosed
US-20050020578-A1 Sorbitol dehydrogenase inhibitors PFIZER INC. 2005-01-27 — — US disclosed
US-20040077671-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2004-04-22 — — US disclosed
US-6660740-B1 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-12-09 — — US disclosed
US-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 — — US disclosed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 — — US disclosed
US-6414149-B1 TREATING DIABETES, TREATING OR PREVENTING DIABETIC COMPLICATIONS PFIZER INC. 2002-07-02 — — 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 (3 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-20050020578-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 P2RX7 3762/4885ALDH1A1 26/4885MAPT 2491/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 P2RX7 3888/4885ALDH1A1 25/4885MAPT 2399/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 P2RX7 3888/4885ALDH1A1 25/4885MAPT 2399/4885

“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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