SCHEMBL12956972

SCHEMBL12956972

Cc1c(N)nc(N)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CDK2 P24941 1/20 0.52
XDH P47989 1/20 0.52
PNP P00491 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.43
TYMP P19971 1/20 0.43
MAPT P10636 1/20 0.42
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 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
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TYMS P04818 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL718210 0.81 NPSR1 (0.52) CDK1CDK4CDK2XDHPNP
SCHEMBL1271646 0.75 CDK1 (0.56) CDK1CDK4CDK2PNPMAPT
SCHEMBL8201950 0.74 XDH (0.46) CDK1CDK4CDK2XDHPNP
SCHEMBL19506131 0.74 XDH (0.46) CDK1CDK4CDK2XDHPNP
Hydrochloric Acid SCHEMBL12474436 0.73 CDK1 (0.54) CDK1CDK4CDK2PNPMAPT
SCHEMBL7167384 0.73 CDK1 (0.54) CDK1CDK4CDK2XDHPNP
SCHEMBL12284639 0.71 ALDH1A1 (0.65) CDK1CDK4CDK2XDHPNP
SCHEMBL3180710 0.71 CDK1 (0.52) CDK1CDK4CDK2PNPMAPT
SCHEMBL9879130 0.70 TYMS (0.43) CDK1CDK4CDK2XDHPNP
SCHEMBL22354697 0.70 ALDH1A1 (0.43) XDHPNPNPSR1MAPTALDH1A1

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-20190225644-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING MODERNATX, INC. 2019-07-25 US disclosed
US-20140323726-A1 Methods for synthesizing molybdopterin precursor Z derivatives ALEXION PHARMA INTERNATIONAL SÀRL (CH) 2014-10-30 US disclosed
EP-1644389-B1 PYRIMIDINE COMPOUNDS HAVING PHOSPHONATE GROUPS AS ANTIVIRAL NUCLEOTIDE ANALOGS ACAD OF SCIENCE CZECH REPUBLIC (CZ) 2011-01-19 EP 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-20140323726-A1 Methods for synthesizing molybdopterin precursor Z derivatives MTHFD2, ADH1B, DPYD CDK1 1853/4885CDK4 2687/4885CDK2 1427/4885
US-20190225644-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING RNGTT, RNMT, NSUN2 CDK1 3280/4885CDK4 3989/4885CDK2 3299/4885

“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.