SCHEMBL1762597

SCHEMBL1762597

CCc1cccc(CC)c1-c1cc2ccn(C(=O)c3cc(C)ccc3C)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
C5AR1 P21730 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
PPARG P37231 1/20 0.33
GRM4 Q14833 1/20 0.32
DHODH Q02127 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
LMNA P02545 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
SCHEMBL1762746 0.81 TSHR (0.47) KDM4EALDH1A1KMT2AHPGDPPARG
SCHEMBL1762635 0.80 TUBB1 (0.43) C5AR1KDM4EALDH1A1MAPTKMT2A
SCHEMBL1762466 0.79 KMT2A (0.43) SMN1; SMN2KDM4EALDH1A1MAPTKMT2A
SCHEMBL1762469 0.78 HCRTR1 (0.39) C5AR1KDM4EALDH1A1MAPTKMT2A
SCHEMBL1762595 0.78 TP53 (0.41) SMN1; SMN2C5AR1ALDH1A1MAPTKMT2A
SCHEMBL1762839 0.77 PPARG (0.39) SMN1; SMN2ALDH1A1KMT2ATP53HPGD
SCHEMBL1762664 0.76 C5AR1 (0.47) C5AR1ALDH1A1MAPTKMT2ATP53
SCHEMBL1762851 0.73 HDAC3 (0.41) SMN1; SMN2ALDH1A1MAPTKMT2ATP53
SCHEMBL1762891 0.72 MAPT (0.37) SMN1; SMN2C5AR1MAPTKMT2ATP53
SCHEMBL1762569 0.72 TUBB1 (0.39) KMT2A

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 SMN1; SMN2 4820/4885C5AR1 1/4885KDM4E 2304/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 SMN1; SMN2 4820/4885C5AR1 1/4885KDM4E 2304/4885

“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.