SCHEMBL1762843

SCHEMBL1762843

CCc1cccc(CC)c1-c1cc2ccn(Cc3c(C)cc(C)cc3C)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
C5AR1 P21730 3/20 0.36
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
SLC22A12 Q96S37 1/20 0.33
GCGR P47871 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 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
SCHEMBL1762620 0.87 CYP11B1 (0.40) KMT2AC5AR1FLT1KDRCYP11B1
SCHEMBL1762595 0.85 TP53 (0.41) MEN1KMT2AC5AR1FLT1KDR
SCHEMBL1762851 0.85 HDAC3 (0.41) MEN1KMT2ACYP11B1CYP11B2MAPT
SCHEMBL1763003 0.84 C5AR1 (0.37) MEN1KMT2AC5AR1FLT1KDR
SCHEMBL1762774 0.81 PKM (0.43) MEN1MAPK1KMT2ASLC22A12GAA
SCHEMBL12593215 0.80 C5AR1 (0.43) C5AR1FLT1KDRGAATP53
SCHEMBL1762663 0.79 PTGER4 (0.46) MAPK1KMT2AMAPTALDH1A1LMNA
SCHEMBL1762814 0.79 C5AR1 (0.38) C5AR1CYP1A2
SCHEMBL1762908 0.79 KMT2A (0.39) MEN1MAPK1KMT2ACYP11B1CYP11B2
SCHEMBL1762705 0.79 LMNA (0.42) MEN1KMT2AGAAALDH1A1LMNA

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 MEN1 4175/4885MAPK1 2132/4885KMT2A 4489/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 MEN1 4175/4885MAPK1 2132/4885KMT2A 4489/4885

“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.