SCHEMBL17283670

SCHEMBL17283670

O=C(Nc1cc(NC(=O)c2ccccc2)[nH]n1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 6/20 0.69
▸ CDK2 P24941 6/20 0.69
▸ CCNA1 P78396 6/20 0.69
▸ NPC1 O15118 6/20 0.68
▸ RAB9A P51151 6/20 0.68
▸ MAPT P10636 1/20 0.61
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ATM Q13315 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PRKAB2 O43741 1/20 0.48
▸ PRKAG1 P54619 1/20 0.48
▸ PRKAA2 P54646 1/20 0.48
▸ PRKAA1 Q13131 1/20 0.48
▸ PRKAG3 Q9UGI9 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
SCHEMBL31590676 0.83 KCNQ3 (0.54) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL8141305 0.82 CCNA2 (1.00) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5008289 0.82 CCNA2 (0.51) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL6562826 0.81 NPC1 (1.00) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL6566137 0.81 ADORA1 (0.56) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL26784606 0.78 PRKAB2 (0.77) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL31590737 0.78 CCNA2 (0.51) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867670 0.77 CCNA2 (0.59) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL4314346 0.77 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL6566353 0.76 NPC1 (1.00) CCNA2CDK2CCNA1NPC1RAB9A

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-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 — — US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 — — US disclosed
WO-2017099041-A1 POLYIMIDE FILM, FLEXIBLE PRINTED BOARD, LED LIGHTING DEVICE ETC. コニカミノルタ株式会社 2017-06-15 — — WO disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 — — 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 (3 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-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE HRH3, HELZ, NBAS CCNA2 3755/4885CDK2 3121/4885CCNA1 3597/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 CCNA2 3673/4885CDK2 3249/4885CCNA1 3517/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 CCNA2 444/4885CDK2 153/4885CCNA1 338/4885

“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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