SCHEMBL1762814

SCHEMBL1762814

CCc1cccc(CC)c1-c1cc2ccn(Cc3cc(C(F)(F)F)ccc3C)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
GRIN2B Q13224 5/20 0.35
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
KCNQ4 P56696 2/20 0.35
KCNQ5 Q9NR82 2/20 0.35
PPARD Q03181 2/20 0.35
DDR1 Q08345 3/20 0.34
ERBB2 P04626 2/20 0.34
GRIN1 Q05586 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CRHR1 P34998 1/20 0.33
CYP1A2 P05177 1/20 0.33
PPARA Q07869 1/20 0.32

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
SCHEMBL1762592 0.90 EPHX2 (0.35) C5AR1GRIN2BKCNQ3KCNQ2KCNQ4
SCHEMBL1762829 0.90 P2RX7 (0.39) C5AR1GRIN2BKCNQ3KCNQ2KCNQ4
SCHEMBL1763011 0.87 KCNQ3 (0.47) KCNQ3KCNQ2KCNQ4KCNQ5PPARD
SCHEMBL1762595 0.86 TP53 (0.41) C5AR1CYP1A2
SCHEMBL1762928 0.86 MAPT (0.44)
SCHEMBL1762562 0.83 EPHX2 (0.43) GRIN2BGRIN1
SCHEMBL12593215 0.83 C5AR1 (0.43) C5AR1GRIN2BPPARDPPARA
SCHEMBL1763066 0.80 EPHX2 (0.41) GRIN2B
SCHEMBL1762715 0.79 DDR1 (0.37) C5AR1DDR1
SCHEMBL1762763 0.79 KCNH2 (0.38) C5AR1PPARDCRHR1PPARA

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 C5AR1 1/4885GRIN2B 1253/4885KCNQ3 1383/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 C5AR1 1/4885GRIN2B 1253/4885KCNQ3 1383/4885

“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.