SCHEMBL20249180

SCHEMBL20249180

CC(C)(C)c1ccc(CNS(C)(=O)=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
CNR2 P34972 1/20 0.44
MEN1 O00255 1/20 0.40
LMNA P02545 2/20 0.40
NAMPT P43490 1/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL20249220 0.86 CA2 (0.56) KMT2AMEN1LMNAALDH1A1PKM
SCHEMBL20249202 0.82 POLB (0.53) KMT2AMEN1LMNAPOLBTSHR
SCHEMBL24632527 0.78 KMT2A (0.49) KMT2ACNR2LMNANAMPTPOLB
SCHEMBL15498266 0.78 CA2 (0.38) KMT2AMEN1LMNAKDM4EHTT
SCHEMBL5008265 0.77 KMT2A (0.56) KMT2AMEN1NAMPTKDM4ESMN1; SMN2
SCHEMBL18291414 0.77 KMT2A (0.47) KMT2ALMNANAMPTPOLBKDM4E
SCHEMBL20249197 0.74 KMT2A (0.47) KMT2ALMNAPOLBKDM4EHDAC3
SCHEMBL5013529 0.74 NAMPT (0.48) KMT2ACNR2MEN1LMNANAMPT
SCHEMBL21267702 0.74 KMT2A (0.45) KMT2ACNR2LMNANAMPTPOLB
SCHEMBL3070549 0.74 KMT2A (0.56) KMT2ACNR2MEN1LMNANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 KMT2A 670/4885CNR2 2055/4885MEN1 2609/4885

“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.