SCHEMBL6294055

SCHEMBL6294055

CN1N=C(c2ccc3ccccc3c2)CC1c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.71
▸ MAOA P21397 6/20 0.71
▸ EGFR P00533 4/20 0.61
▸ ERBB2 P04626 4/20 0.61
▸ ACHE P22303 2/20 0.59
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ERBB3 P21860 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ PTK2 Q05397 1/20 0.49
▸ LMNA P02545 1/20 0.48

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
SCHEMBL6294187 0.87 EGFR (0.65) MAOBMAOAEGFRERBB2ACHE
SCHEMBL6366056 0.86 ACHE (0.56) MAOBMAOAEGFRERBB2ACHE
SCHEMBL17454724 0.74 MAOB (0.82) MAOBMAOAKDM4EALDH1A1LMNA
SCHEMBL9356499 0.73 EGFR (0.86) MAOBMAOAEGFRERBB2ACHE
SCHEMBL31429976 0.73 EGFR (0.75) MAOBMAOAEGFRERBB2ACHE
SCHEMBL11212856 0.73 EGFR (0.75) MAOBMAOAEGFRERBB2ACHE
SCHEMBL31429939 0.73 MAOB (1.00) MAOBMAOA
SCHEMBL14081504 0.71 MAOB (0.88) MAOBMAOAACHE
SCHEMBL14081500 0.71 MAOB (1.00) MAOBMAOAACHE
SCHEMBL7643326 0.70 CYP1A2 (0.65) KDM4EALDH1A1NPC1RAB9A

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-20030083351-A1 Medicinal uses of dihydropyrazoles THE PROCTER & GAMBLE COMPANY 2003-05-01 — — US claimed
WO-2002089799-A2 USE OF DIHYDROPYRAZOLES TO INCREASE ERYTHROPOIETIN AND VASCULARI ZATION THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 — — WO claimed
US-20050090532-A1 Medicinal uses of dihydropyrazoles THE PROCTER & GAMBLE COMPANY 2005-04-28 — — US disclosed
US-6878729-B2 Medicinal uses of dihydropyrazoles THE PROCTER & GAMBLE COMPANY (US) 2005-04-12 — — US disclosed
US-20030083351-A1 Medicinal uses of dihydropyrazoles THE PROCTER & GAMBLE COMPANY 2003-05-01 — — 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-20050090532-A1 Medicinal uses of dihydropyrazoles EPOR, VEGFA, FLT4 MAOB 437/4885MAOA 816/4885EGFR 801/4885
US-20030083351-A1 Medicinal uses of dihydropyrazoles EPOR, VEGFA, TEK MAOB 716/4885MAOA 1212/4885EGFR 1020/4885

“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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