Sugi Predict

Sugi Predict / Compounds / SCHEMBL1762763

SCHEMBL1762763

SCHEMBL1762763

CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(C(F)(F)F)cc3)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ PTK2 Q05397 3/20 0.37
▸ LCK P06239 2/20 0.37
▸ KIT P10721 2/20 0.37
▸ SRC P12931 2/20 0.37
▸ KDR P35968 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ CRHR1 P34998 1/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ C5AR1 P21730 2/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MCHR1 Q99705 3/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL1762998 0.91 KCNH2 (0.43) KCNH2PTK2LCKKITSRC
SCHEMBL1762622 0.90 KCNH2 (0.38) KCNH2PTK2LCKKITSRC
SCHEMBL1762743 0.89 MCHR1 (0.37) PTK2CDC7CDK2MCHR1
SCHEMBL1762834 0.87 DGAT1 (0.39) KCNH2PTGS1PTGS2PPARDMCHR1
SCHEMBL1762893 0.87 PTK2 (0.39) PTK2LCKKITSRCKDR
SCHEMBL1762856 0.86 PDE4B (0.36) KCNH2PTK2PPARDPPARA
SCHEMBL1762716 0.86 NPC1 (0.35) PTK2CDC7CDK2DGAT1CYP19A1
SCHEMBL1763138 0.86 ESR2 (0.39) PTK2PTGS1DGAT1CYP19A1
SCHEMBL1762617 0.84 C5AR1 (0.38) PTK2KDRC5AR1MCHR1DGAT1
SCHEMBL1762956 0.84 ALDH1A1 (0.41) PTK2SRCPDGFRA

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 KCNH2 1498/4885PTK2 1795/4885LCK 433/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 KCNH2 1498/4885PTK2 1795/4885LCK 433/4885

“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.