SCHEMBL1762636

SCHEMBL1762636

CCc1cccc(CC)c1-c1cc2ccn(CCc3ccccc3)c2cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.42
KMT2A Q03164 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL5796068 0.82 TLR8 (0.40) HTTKDM4EALDH1A1HPGDLMNA
SCHEMBL1762908 0.80 KMT2A (0.39) KMT2APOLBHPGDMAPK1ADORA2A
SCHEMBL1762620 0.79 CYP11B1 (0.40) KMT2AALDH1A1
SCHEMBL1762851 0.79 HDAC3 (0.41) KMT2AHTTPOLBALDH1A1HSD17B10
SCHEMBL1762893 0.78 PTK2 (0.39) KDM4CALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1762663 0.78 PTGER4 (0.46) KMT2AALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL1762705 0.77 LMNA (0.42) KMT2AHTTRECQLKDM4EALDH1A1
SCHEMBL1762928 0.77 MAPT (0.44) RORCKDM4EALDH1A1LMNAMAPT
SCHEMBL1762713 0.77 DGAT1 (0.42) ALDH1A1HPGDLMNAMAPT
SCHEMBL1762935 0.76 HDAC8 (0.47) KMT2APOLBLMNAMAPT

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 RORC 806/4885KMT2A 4489/4885KDM4C 2425/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 RORC 806/4885KMT2A 4489/4885KDM4C 2425/4885

“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.