SCHEMBL1762595

SCHEMBL1762595

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
TSHR P16473 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
C5AR1 P21730 1/20 0.37
FLT1 P17948 2/20 0.37
KDR P35968 2/20 0.37
TNF P01375 2/20 0.36
MAPT P10636 2/20 0.35
SLC22A12 Q96S37 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL12593215 0.87 C5AR1 (0.43) TP53C5AR1FLT1KDR
SCHEMBL1762814 0.86 C5AR1 (0.38) CYP1A2C5AR1
SCHEMBL1762851 0.86 HDAC3 (0.41) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL1762843 0.85 MEN1 (0.41) TP53MEN1KMT2AALDH1A1CYP1A2
SCHEMBL1762620 0.84 CYP11B1 (0.40) KMT2AALDH1A1C5AR1FLT1KDR
SCHEMBL1763003 0.81 C5AR1 (0.37) MEN1KMT2AALDH1A1CYP2C19C5AR1
SCHEMBL1762705 0.80 LMNA (0.42) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1762562 0.79 EPHX2 (0.43) MEN1KMT2AALDH1A1FLT1KDR
SCHEMBL1763191 0.79 KCNA3 (0.41) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1762822 0.79 SRPK2 (0.38) FLT1KDR

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 TP53 2571/4885TSHR 246/4885MEN1 4175/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 TP53 2571/4885TSHR 246/4885MEN1 4175/4885

“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.