SCHEMBL1763191

SCHEMBL1763191

CCc1cccc(CC)c1-c1cc2ccn(Cc3ccc(Cl)cc3Cl)c2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 3/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
CCR4 P51679 2/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
PLAU P00749 1/20 0.38
SRPK2 P78362 1/20 0.38
SRPK1 Q96SB4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
VDR P11473 1/20 0.37
P2RX7 Q99572 1/20 0.37
DBH P09172 1/20 0.37

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
SCHEMBL1762822 0.91 SRPK2 (0.38) KCNA3SRPK2SRPK1P2RX7DBH
SCHEMBL1762715 0.85 DDR1 (0.37) SRPK2SRPK1P2RX7
SCHEMBL1762851 0.81 HDAC3 (0.41) SMN1; SMN2LMNAHTT
SCHEMBL1762774 0.81 PKM (0.43) TSHRSMN1; SMN2LMNAMAPK1HTT
SCHEMBL1762662 0.80 F2R (0.40) TSHRCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL1762595 0.79 TP53 (0.41) TSHRSMN1; SMN2CYP2C19CYP1A2CYP3A4
SCHEMBL1762705 0.79 LMNA (0.42) TSHRSMN1; SMN2LMNAHTTKDM4E
SCHEMBL1762620 0.79 CYP11B1 (0.40) PLAU
SCHEMBL1762935 0.78 HDAC8 (0.47) SMN1; SMN2LMNA
SCHEMBL1762562 0.78 EPHX2 (0.43) MAPK1P2RX7

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 KCNA3 1531/4885TSHR 246/4885SMN1; SMN2 4820/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 KCNA3 1531/4885TSHR 246/4885SMN1; SMN2 4820/4885

“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.