SCHEMBL4082823

SCHEMBL4082823

Cc1cc(-c2nnc[nH]2)ccc1-c1ccc(CNCCC(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.39
HDAC1 Q13547 1/20 0.35
VSIR Q9H7M9 4/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
OPRL1 P41146 1/20 0.31
PARP1 P09874 2/20 0.31
S1PR1 P21453 1/20 0.31
GHSR Q92847 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL4256175 0.93 AKT1 (0.38) AKT1HDAC1VSIRPDCD1CD274
SCHEMBL4074510 0.88 AKT1 (0.36) AKT1HDAC1VSIRPDCD1CD274
SCHEMBL4080115 0.86 AKT1 (0.35) AKT1HDAC1VSIROPRL1S1PR1
SCHEMBL4081718 0.83 AKT1 (0.35) AKT1HDAC1VSIRCD274S1PR1
SCHEMBL4071465 0.79 CSNK2A1 (0.40) AKT1HDAC1VSIRCD274OPRL1
SCHEMBL13633146 0.79 SCN8A (0.35) AKT1HDAC1VSIRCD274S1PR1
Hydrochloric Acid SCHEMBL4490670 0.78 SCN8A (0.35) AKT1HDAC1VSIRCD274S1PR1
SCHEMBL4083648 0.75 HDAC1 (0.33) AKT1HDAC1VSIR
SCHEMBL13137050 0.74 HTT (0.43) AKT1HDAC1VSIRPDCD1CD274
SCHEMBL13137130 0.72 HTT (0.39) AKT1HDAC1VSIROPRL1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP claimed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO claimed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 AKT1 2539/4885HDAC1 2034/4885VSIR 1218/4885

“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.