SCHEMBL851387

SCHEMBL851387

C=CCNc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
LTA4H P09960 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
TP53 P04637 1/20 0.41
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL31132270 1.00 RAB9A (0.49) RAB9AGAANPC1PKMLTA4H
SCHEMBL26026914 0.83 RAB9A (0.47) RAB9AGAANPC1PKMLTA4H
SCHEMBL7479351 0.81 RAB9A (0.49) RAB9AGAANPC1PKMLTA4H
SCHEMBL23128474 0.80 RAB9A (0.42) RAB9AGAANPC1PKMLTA4H
SCHEMBL2103950 0.78
SCHEMBL1581280 0.75 CA12 (0.41) RAB9AGAANPC1CA12CA1
SCHEMBL1150196 0.75 KDM4E (0.51) RAB9AGAACA12CA1CA2
SCHEMBL31459126 0.75 BCL6 (0.58) GAAKDM4E
SCHEMBL11051 0.74 CA12 (0.53) RAB9AGAACA12CA1CA2
SCHEMBL16371883 0.74 CA12 (0.53) RAB9AGAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117300060-A Lost foam casting process for machine tool wear-resistant accessory 浙江浦江精宇铸造有限公司 2023-12-29 CN claimed
CN-117300060-A Lost foam casting process for machine tool wear-resistant accessory 浙江浦江精宇铸造有限公司 2023-12-29 CN disclosed
CN-113968864-B Cu based on zinc porphyrin axial coordination regulation + Fluorescent probe, preparation method and application 浙大城市学院 2023-04-07 CN disclosed
CN-114036878-A Dual neuromorphic device based on charge trapping effect and electric double-layer effect and preparation method thereof 电子科技大学长三角研究院(湖州) 2022-02-11 CN disclosed
CN-113968864-A Cu based on zinc porphyrin axial coordination regulation+Fluorescent probe, preparation method and application 浙大城市学院 2022-01-25 CN disclosed
EP-2010516-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2014-07-02 EP disclosed
CN-101472911-B Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA NV 2014-07-02 CN disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
CN-101472911-A Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA NV (BE) 2009-07-01 CN disclosed
EP-2010516-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 EP disclosed
US-7351835-B2 Organic molecular cataylst having binaphthol skeleton and processes for producing the same and application thereof MEIJI SEIKA KAISHA LTD. (JP) 2008-04-01 US disclosed
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
US-20060009646-A1 Novel organic molecular catalyst having binaphthol skeketon and processes for producing the same and application thereof MEIJI SEIKA KAISHA LTD. (JP) 2006-01-12 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-20060009646-A1 Novel organic molecular catalyst having binaphthol skeketon and processes for producing the same and application thereof SQLE, OGDH, CYP17A1 RAB9A 4007/4885GAA 631/4885NPC1 3324/4885
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 RAB9A 1835/4885GAA 3210/4885NPC1 2263/4885

“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.