SCHEMBL17486136

SCHEMBL17486136

Clc1nc(-c2ccccc2)nc(-n2cnc3ccccc32)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ PTK2B Q14289 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ PIK3CB P42338 1/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ FGFR1 P11362 2/20 0.46
▸ POLB P06746 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL9025863 0.79 PIK3CB (0.68) HTTPIK3CBMKNK1MKNK2FGFR1
SCHEMBL6628644 0.76 LCK (0.57) HTTPIK3CBMKNK1MKNK2FGFR1
SCHEMBL19749223 0.76 PIK3CB (0.48) HTTPIK3CBMKNK1MKNK2FGFR1
SCHEMBL17486064 0.75 PIK3CB (0.47) HTTPIK3CBMKNK1MKNK2FGFR1
SCHEMBL17212385 0.75 ACP1 (0.54) MAPTKMT2ANPSR1PTK2BHTT
SCHEMBL6626404 0.74 PIK3CB (0.87) MAPTPIK3CBMKNK1MKNK2HPGD
SCHEMBL20805829 0.73 PIK3CB (0.45) KMT2AHTTPIK3CBMKNK1MKNK2
SCHEMBL15024927 0.72 KDM4E (0.44) MAPTKMT2ANPSR1HTTPOLB
SCHEMBL29525742 0.72 KDM4E (0.44) MAPTKMT2ANPSR1HTTPOLB
SCHEMBL29384326 0.72 KDM4E (0.44) MAPTKMT2ANPSR1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 — — EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 — — US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 — — US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 — — US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 — — US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 — — WO 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 MAPT 1084/4885KMT2A 2922/4885NPSR1 3952/4885

“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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