SCHEMBL1762668

SCHEMBL1762668

CCc1cccc(CC)c1-c1cc2c(CC#N)c[nH]c2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.45
PIM1 P11309 3/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
DYRK1A Q13627 2/20 0.33
CFTR P13569 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MPO P05164 1/20 0.32
SLC6A4 P31645 1/20 0.32
DAO P14920 1/20 0.32
DDO Q99489 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL1762541 0.70 GRM4 (0.40) CFTRCDK8HTR1A
SCHEMBL1762630 0.69 HTR1D (0.41) SLC6A4HTR1AHTR1DHTR1B
SCHEMBL1762481 0.69 KCNH2 (0.35)
SCHEMBL7326928 0.67 CSNK2A1 (0.56) CSNK2A1GRIA1CACNG8MPOSLC6A4
SCHEMBL11924849 0.66 CSNK2A1 (0.54) CSNK2A1HTR1AHTR1DHTR1B
SCHEMBL7359803 0.66 CSNK2A1 (0.55) CSNK2A1PIM1PIM3PIM2MPO
SCHEMBL14970013 0.66 CSNK2A1 (0.67) CSNK2A1MTNR1AMTNR1BMPOSLC6A4
SCHEMBL19260889 0.66 CSNK2A1 (0.50) CSNK2A1DYRK1ACCNT1CDK2CDK9
SCHEMBL149254 0.64 MEN1 (0.62) CSNK2A1CFTRMPOSLC6A4CYP3A4
SCHEMBL29521038 0.64 MEN1 (0.62) CSNK2A1CFTRMPOSLC6A4CYP3A4

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-8633193-B2 Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-05-19 US disclosed
US-7906528-B2 Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-15 US disclosed
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds NEUROGEN CORPORATION (US) 2008-10-30 US disclosed
WO-2006042102-A2 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NEUROGEN CORPORATION (US) 2006-04-20 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 (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-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS C5AR1, C5AR2, C3AR1 CSNK2A1 3361/4885PIM1 3617/4885PIM3 3687/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 CSNK2A1 3361/4885PIM1 3617/4885PIM3 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.