SCHEMBL3377900

SCHEMBL3377900

N#Cc1cccc(-c2ncccn2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.41
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
MAP2K1 Q02750 1/20 0.38
NFATC1 O95644 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
HTT P42858 1/20 0.36
CYP11B2 P19099 1/20 0.36
LRRK2 Q5S007 1/20 0.35
PLAUR Q03405 1/20 0.35
HDAC1 Q13547 1/20 0.35
ADORA2A P29274 1/20 0.34
ESR2 Q92731 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14941708 0.86 MAP2K1 (0.36) GSK3BDYRK1AMAP2K1NFATC1CYP1A2
SCHEMBL6131063 0.80 ESR2 (0.47) CLK4CYP1A2CYP3A4CYP11B2LRRK2
SCHEMBL21596836 0.78 LRRK2 (0.43) CLK4NISCHHTTCYP11B2LRRK2
SCHEMBL3259928 0.76 ESR2 (0.47) MAP2K1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11963778 0.75 GRM5 (0.43) GSK3BDYRK1AMAP2K1NFATC1CYP1A2
SCHEMBL2423501 0.75 TSHR (0.46) MAP2K1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3377895 0.74 CYP1A2 (0.41) CLK4GSK3BDYRK1AMAP2K1CYP1A2
SCHEMBL27693511 0.73 ESR2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19LRRK2
SCHEMBL20240079 0.73 KDM4E (0.49) CYP1A2CYP3A4CYP2C9CYP2C19HTT
SCHEMBL27930441 0.72 ESR2 (0.47) MAP2K1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9427400-B2 Platinum-catalyzed intravaginal rings INTERNATIONAL PARTNERSHIP FOR MICROBICIDES (US) 2016-08-30 US disclosed
US-20140056961-A1 PLATINUM-CATALYZED INTRAVAGINAL RINGS INTERNATIONAL PARTNERSHIP FOR MICROBICIDES (US) 2014-02-27 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20140056961-A1 PLATINUM-CATALYZED INTRAVAGINAL RINGS PCNA, DPYD, QDPR CLK4 1722/4885GSK3B 3112/4885DYRK1A 1918/4885

“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.