SCHEMBL4570268

SCHEMBL4570268

Nc1nc(S)c(N)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.46
MAPT P10636 2/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CDK2 P24941 1/20 0.42
THRB P10828 2/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
QTRT1 Q9BXR0 1/20 0.39
XDH P47989 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DYRK1A Q13627 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL1271646 0.75 CDK1 (0.56) PNPMAPTCDK1CDK4CDK2
Hydrochloric Acid SCHEMBL12474436 0.73 CDK1 (0.54) PNPMAPTCDK1CDK4CDK2
SCHEMBL12284639 0.71 ALDH1A1 (0.65) PNPMAPTCDK1CDK4CDK2
SCHEMBL13022826 0.71 PNP (0.46) PNPMAPTCDK1CDK4CDK2
SCHEMBL18519931 0.68 MAPT (0.44) PNPMAPTCDK1CDK4CDK2
Sulfuric Acid SCHEMBL21495047 0.67 CDK1 (0.47) PNPMAPTCDK1CDK4CDK2
SCHEMBL12820655 0.67 CDK1 (0.42) PNPMAPTCDK1CDK4CDK2
SCHEMBL11681028 0.67 MAPT (0.42) PNPMAPTCDK1CDK4CDK2
SCHEMBL31727983 0.67 PNP (0.42) PNPMAPTCDK1CDK4CDK2
SCHEMBL11678082 0.67 PNP (0.42) PNPMAPTCDK1CDK4CDK2

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-9993491-B2 Guanine riboswitch binding compounds and their use as antibiotics SOCPRA—SCIENCES ET GÉNIE S.E.C. (CA) 2018-06-12 US disclosed
US-9993491-B2 Guanine riboswitch binding compounds and their use as antibiotics SOCPRA—SCIENCES ET GÉNIE S.E.C. (CA) 2018-06-12 US disclosed
EP-2440533-B1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA SCIENCES ET GÉNIE S E C (CA) 2015-09-23 EP disclosed
US-20150150890-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS UNIVERSITE DE SHERBROOKE (CA) 2015-06-04 US disclosed
US-20150150890-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS UNIVERSITE DE SHERBROOKE (CA) 2015-06-04 US disclosed
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S.E.C. (CA) 2012-05-17 US disclosed
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S.E.C. (CA) 2012-05-17 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-20150150890-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS GDA, RNMT, GNPDA1 PNP 618/4885MAPT 4810/4885CDK1 4138/4885
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS GDA, RNMT, GNPDA1 PNP 618/4885MAPT 4810/4885CDK1 4138/4885

“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.