SCHEMBL1762855

SCHEMBL1762855

CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(C(C)(C)C(=O)OC)cc3)c2cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.34
PTK2 Q05397 8/20 0.33
KCNH2 Q12809 1/20 0.33
C5AR1 P21730 2/20 0.33
NR1H4 Q96RI1 2/20 0.32
PPARG P37231 1/20 0.32
TTK P33981 1/20 0.32
MAP3K5 Q99683 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 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
SCHEMBL1762856 0.89 PDE4B (0.36) PTK2KCNH2NR1H4PPARG
SCHEMBL1762622 0.87 KCNH2 (0.38) PTK2KCNH2MAP3K5
SCHEMBL1762998 0.86 KCNH2 (0.43) PTK2KCNH2C5AR1NR1H4PPARG
SCHEMBL1762763 0.84 KCNH2 (0.38) PTK2KCNH2C5AR1
SCHEMBL1762608 0.81 EIF2AK4 (0.39) PTK2C5AR1KDM4ENPC1MAPT
SCHEMBL1763138 0.81 ESR2 (0.39) PTK2MAPT
SCHEMBL1762921 0.81 LCK (0.38) PTK2ALDH1A1NPC1MAPTHPGD
SCHEMBL1762893 0.80 PTK2 (0.39) PTK2ALDH1A1NPC1MAPTHPGD
SCHEMBL1762956 0.79 ALDH1A1 (0.41) PTK2KDM4EALDH1A1NPC1MAPT
SCHEMBL1762716 0.79 NPC1 (0.35) PTK2NPC1MAPTRAB9ASMN1; SMN2

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 BRS3 377/4885PTK2 1795/4885KCNH2 1498/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 BRS3 377/4885PTK2 1795/4885KCNH2 1498/4885

“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.