SCHEMBL7044251

SCHEMBL7044251

O=Cc1cnccc1Nc1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.59
▸ PTGS2 P35354 2/20 0.59
▸ ERBB2 P04626 3/20 0.49
▸ PTK6 Q13882 3/20 0.49
▸ FADS1 O60427 2/20 0.48
▸ HIPK2 Q9H2X6 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ BCR P11274 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ TDO2 P48775 1/20 0.45
▸ PIM1 P11309 2/20 0.45
▸ PIM2 Q9P1W9 2/20 0.45
▸ CSNK2A2 P19784 1/20 0.45
▸ CSNK2B P67870 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2512039 0.82 ALDH1A1 (0.54) PTGS1PTGS2ABL1PRKCAPRKCD
SCHEMBL2559581 0.80 FADS1 (0.49) PTGS1PTGS2ERBB2PTK6FADS1
SCHEMBL27485674 0.78 ALDH1A1 (0.41) PTGS1PTGS2ALDH1A1GAARAB9A
SCHEMBL4714454 0.78 PTGS1 (0.59) PTGS1PTGS2ERBB2PTK6FADS1
SCHEMBL28933599 0.76 EGFR (0.53) ERBB2FADS1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4905987 0.76 AKR1C3 (0.59) PTGS1PTGS2HIPK2PIM1PIM2
SCHEMBL4717840 0.75 ALDH1A1 (0.70) PTGS1PTGS2ERBB2PTK6FADS1
SCHEMBL11593946 0.75 PTGS1 (0.70) PTGS1PTGS2ERBB2PTK6FADS1
SCHEMBL6643061 0.72 NPC1 (0.59) ERBB2FADS1MEN1KMT2AALDH1A1
SCHEMBL15332714 0.72 HDAC3 (0.59) PTGS1PTGS2ERBB2PTK6ABL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642250-B2 As phosphodiesterase inhibitor for prophylaxis and therapy of bronchial asthma; pneumonic diseases, pulmonary emphysema, chronic obstructive pulmonary disease acute respiratory distress syndrome (ARDS), and other respiratory diseases GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 — — US disclosed
US-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-02-20 — — 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 (1 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-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives PDE3B, PDE4A, PDE4B PTGS1 75/4885PTGS2 225/4885ERBB2 3940/4885

“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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