SCHEMBL1762660

SCHEMBL1762660

CCCC(CCC)n1cc(C(=O)NCC(C)C)c2cc(-c3c(CC)cccc3CC)ncc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
IDH1 O75874 1/20 0.35
CNR2 P34972 1/20 0.35
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
PDE10A Q9Y233 3/20 0.32
MAOB P27338 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1762821 0.86 MAPT (0.39) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL1762703 0.85 GABRP (0.32) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL1762871 0.85 NR4A2 (0.37) KMT2ASMN1; SMN2MEN1GAAPOLB
SCHEMBL1762776 0.79 C5AR1 (0.31)
SCHEMBL1762598 0.78
SCHEMBL1762613 0.78 PTGER1 (0.36) KMT2AMEN1
SCHEMBL1762538 0.77 ICMT (0.32) KMT2AALDH1A1TP53
SCHEMBL1762996 0.75 NPC1 (0.38) PDE4ASMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL1762870 0.74 FABP3 (0.38) SMN1; SMN2RAB9ANPC1
SCHEMBL1762565 0.73 P2RY12 (0.33) KDM4EALDH1A1

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 PDE4A 475/4885KCNH2 1498/4885KMT2A 4489/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 PDE4A 475/4885KCNH2 1498/4885KMT2A 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.