SCHEMBL5040387

SCHEMBL5040387

Cc1cc(N2CCCC2)c2ccc(OCc3cccnc3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.50
▸ NCF1 P14598 3/20 0.49
▸ PRKDC P78527 3/20 0.47
▸ MAOA P21397 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ HTR6 P50406 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ F9 P00740 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ METTL3 Q86U44 3/20 0.41
▸ P2RY12 Q9H244 1/20 0.40
▸ PIK3CD O00329 1/20 0.40

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
SCHEMBL5040670 0.88 NCF1 (0.49) FGFR1NCF1METTL3
SCHEMBL5033351 0.88 NCF1 (0.61) NCF1
Hydrochloric Acid SCHEMBL5036273 0.87 NCF1 (0.48) FGFR1NCF1METTL3
SCHEMBL5037370 0.87 NCF1 (0.50) FGFR1NCF1PRKDCMAOAHRH4
SCHEMBL5037448 0.87 NCF1 (0.63) NCF1
Hydrochloric Acid SCHEMBL5040456 0.86 NCF1 (0.62) NCF1
Hydrochloric Acid SCHEMBL5040516 0.86 NCF1 (0.49) FGFR1NCF1PRKDCMAOAHRH4
SCHEMBL5035781 0.86 NCF1 (0.52) FGFR1NCF1PRKDCMAOACSF1R
Hydrochloric Acid SCHEMBL5042681 0.85 NCF1 (0.51) FGFR1NCF1PRKDCMAOACSF1R
SCHEMBL5040461 0.84 NCF1 (0.47) NCF1METTL3

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
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 — — EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 — — US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 — — US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 — — 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R FGFR1 398/4885NCF1 1052/4885PRKDC 4750/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R FGFR1 398/4885NCF1 1052/4885PRKDC 4750/4885

“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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