SCHEMBL16557019

SCHEMBL16557019

C=CCn1nc(C)nc1S

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CRHR1 P34998 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11469986 0.79 CYP3A4 (0.30)
SCHEMBL11461855 0.78
SCHEMBL2489442 0.74 ALDH1A1 (0.44) KDM4ENPSR1RAB9ASMN1; SMN2
SCHEMBL12332804 0.72 KDM4E (0.31) KDM4ENPSR1RAB9ASMN1; SMN2
SCHEMBL10486890 0.71 CYP3A4 (0.32)
SCHEMBL14739957 0.66 KDM1A (0.31) KDM4E
SCHEMBL8628094 0.61
SCHEMBL11846055 0.61
SCHEMBL10712331 0.61 ALDH1A1 (0.70) KDM4ERAB9ASMN1; SMN2
SCHEMBL2593177 0.60 APAF1 (0.45) KDM4ENPSR1SMN1; SMN2

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 2 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
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY COUNCIL SCIENT IND RES (IN) 2015-03-12 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 (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-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY CYP51A1, TALDO1, IL33 KDM4E 4127/4885NPSR1 3899/4885CRHR1 3292/4885

“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.