SCHEMBL1762940

SCHEMBL1762940

CCc1cccc(CC)c1-c1cc2ccn(-c3cccc(Cl)c3)c2cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
HPGD P15428 2/20 0.40
FGFR1 P11362 1/20 0.39
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP19A1 P11511 2/20 0.35
PTK2 Q05397 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
HCAR1 Q9BXC0 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
SCHEMBL1762893 0.89 PTK2 (0.39) ROCK2PIM1HPGDFGFR1MAPK1
SCHEMBL1762962 0.86 DGAT1 (0.42) FGFR1PTK2
SCHEMBL1762637 0.85 C5AR1 (0.37) ROCK2PIM1PIM3HPGDPTK2
SCHEMBL1762891 0.84 MAPT (0.37) HPGDCYP19A1PTK2MEN1KMT2A
SCHEMBL1762950 0.84 PTK2 (0.42) HPGDCYP19A1PTK2MEN1KMT2A
SCHEMBL1762617 0.84 C5AR1 (0.38) CYP19A1PTK2MEN1KMT2A
SCHEMBL1762716 0.83 NPC1 (0.35) GABRB2CYP19A1PTK2
SCHEMBL1763138 0.83 ESR2 (0.39) FGFR1CYP19A1PTK2
SCHEMBL1762713 0.83 DGAT1 (0.42) HPGDPTK2HCAR1
SCHEMBL1762763 0.81 KCNH2 (0.38) CYP19A1PTK2

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
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

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 ROCK2 2556/4885PIM1 3617/4885PIM3 3687/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 ROCK2 2556/4885PIM1 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.