SCHEMBL1763775

SCHEMBL1763775

CCCCCc1ncc2c(n1)NC(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ IDH1 O75874 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MET P08581 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ LTK P29376 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
SCHEMBL5496314 0.90 PDE3B (0.40) PDE3BPDE3AIDH1KDRCHEK1
SCHEMBL4044760 0.72 PDE3B (0.48) PDE3BPDE3AIDH1KDRCHEK1
SCHEMBL18238728 0.69 PDE3B (0.42) PDE3BPDE3AIDH1KDRCHEK1
SCHEMBL661744 0.68 KDR (0.42) PDE3BPDE3AIDH1KDRCHEK1
SCHEMBL2625476 0.68 PDE3B (0.41) PDE3BPDE3AIDH1KDRCHEK1
SCHEMBL25060982 0.67 PDE3B (0.40) PDE3BPDE3AIDH1KDRCHEK1
SCHEMBL15063061 0.66 IDH1 (0.32) IDH1XDH
SCHEMBL6872892 0.66 KDR (0.58) KDRAURKB
SCHEMBL17506443 0.65 MAPK14 (0.33) —
SCHEMBL6417146 0.65 RARB (0.47) GPR84ALDH1A1

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 5 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
WO-2006042102-A2 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NEUROGEN CORPORATION (US) 2006-04-20 — — WO 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 PDE3B 660/4885PDE3A 946/4885IDH1 3676/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 PDE3B 660/4885PDE3A 946/4885IDH1 3676/4885

“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.

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