SCHEMBL1762620

SCHEMBL1762620

CCc1cccc(CC)c1-c1cc2ccn(Cc3cc(C)cc(C)c3)c2cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
BRD4 O60885 1/20 0.35
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
SLC2A1 P11166 1/20 0.34
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
C5AR1 P21730 1/20 0.32
PLAU P00749 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL1762851 0.91 HDAC3 (0.41) CYP11B1CYP11B2BRD4KMT2AALDH1A1
SCHEMBL1762843 0.87 MEN1 (0.41) CYP11B1CYP11B2FLT1KDRKMT2A
SCHEMBL1762908 0.84 KMT2A (0.39) CYP11B1CYP11B2BRD4KMT2APLAU
SCHEMBL1762595 0.84 TP53 (0.41) FLT1KDRKMT2AALDH1A1C5AR1
SCHEMBL1762935 0.83 HDAC8 (0.47) CYP11B1CYP11B2KMT2AHDAC3HDAC1
SCHEMBL1762662 0.83 F2R (0.40) FLT1KDRKMT2APPARGPPARD
SCHEMBL1763011 0.82 KCNQ3 (0.47) KMT2AALDH1A1PPARGPPARDPPARA
SCHEMBL1762663 0.82 PTGER4 (0.46) SLC2A1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL1762928 0.81 MAPT (0.44) ALDH1A1
SCHEMBL1762891 0.81 MAPT (0.37) KMT2AC5AR1NPC1

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 CYP11B1 1888/4885CYP11B2 1865/4885BRD4 593/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 CYP11B1 1888/4885CYP11B2 1865/4885BRD4 593/4885

“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.