SCHEMBL3318982

SCHEMBL3318982

O=C(O)N1CC=C(c2cncnc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ EGLN1 Q9GZT9 2/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ CNR1 P21554 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ SCD5 Q86SK9 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ QDPR P09417 1/20 0.34
▸ NAMPT P43490 3/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL2487146 0.82 PDK4 (0.52) CNR1NAMPTJAK1
SCHEMBL17363102 0.78 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2CNR1SCDSCD5
SCHEMBL28328589 0.76 HTR1F (0.38) ALDH1A1SMN1; SMN2PDE10AMEN1KMT2A
SCHEMBL2266251 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2EGLN1CNR1MEN1
SCHEMBL2636728 0.74 NAMPT (0.46) ALDH1A1SMN1; SMN2EGLN1CNR1NAMPT
SCHEMBL23235670 0.73 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2PDE10ACNR1MEN1
SCHEMBL29865257 0.73 CYP11B2 (0.42) ALDH1A1SMN1; SMN2NAMPT
SCHEMBL23064245 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CNR1SCDSCD5
SCHEMBL28595070 0.71 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2EGLN1CNR1MEN1
SCHEMBL21994832 0.71 CNR1 (0.43) ALDH1A1SMN1; SMN2EGLN1CNR1MEN1

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-2364306-B1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC (US) 2013-04-24 — — EP disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 — — US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 — — US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 — — 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 (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-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ALDH1A1 640/4885SMN1; SMN2 4386/4885EGLN1 3687/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ALDH1A1 640/4885SMN1; SMN2 4386/4885EGLN1 3687/4885

“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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