SCHEMBL2487327

SCHEMBL2487327

C#CCSc1nc(C(C)(C)C)nn1CC#C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
GRK2 P25098 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
PTGS2 P35354 1/20 0.30

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
SCHEMBL2487218 0.82
SCHEMBL12332806 0.81 POLB (0.35) POLBGRK2CTDSP1PTGS2
SCHEMBL2489020 0.72 KDM1A (0.36)
SCHEMBL14752786 0.62 ALDH1A1 (0.37) POLB
SCHEMBL2481113 0.62 ALDH1A1 (0.36)
SCHEMBL14739957 0.61 KDM1A (0.31)
SCHEMBL22952727 0.61 ADORA2B (0.30)
SCHEMBL11611099 0.61 PTGS2 (0.36) POLBGRK2CTDSP1PTGS2
SCHEMBL14739625 0.59 KDM1A (0.34)
SCHEMBL2483252 0.59 KDM1A (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376402-B2 1, 2, 4-triazole derivatives and their anti-microbial activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-28 US disclosed
CN-102858755-B 1,2,4-triazole derivative and anti-mycobacterium activity thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-25 CN disclosed
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY COUNCIL SCIENT IND RES (IN) 2015-03-12 US disclosed
US-8865910-B2 1, 2, 4-triazole derivatives and their anti mycobacterial activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-21 US disclosed
US-20130060045-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-03-07 US disclosed
CN-102858755-A 1, 2, 4-triazole derivatives and their anti mycobacterial activity COUNCIL SCIENT IND RES 2013-01-02 CN disclosed
WO-2011111077-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-15 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 (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-20130060045-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY NAT1, CBR3, NOX3 POLB 415/4885GRK2 2541/4885CTDSP1 1007/4885
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY CYP51A1, TALDO1, IL33 POLB 113/4885GRK2 2619/4885CTDSP1 395/4885

“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.