SCHEMBL1982506

SCHEMBL1982506

CCn1c(=O)c(S(=O)(=O)c2ccccc2)cc2cnc([S+](C)[O-])nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
PLK2 Q9NYY3 2/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
FGFR1 P11362 2/20 0.38
EGFR P00533 1/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.36
PKM P14618 2/20 0.36
HTR6 P50406 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13385888 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EPLK2MAPTLMNA
SCHEMBL1981355 0.86 PLK2 (0.52) ALDH1A1KDM4EPLK2FGFR1CYP1A2
SCHEMBL1984401 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EPLK2MAPTLMNA
SCHEMBL661106 0.80 RIPK2 (0.49) FGFR1EGFRSRC
SCHEMBL13385784 0.80 KMT2A (0.44) PLK2FGFR1KMT2ACDK4CCNA2
SCHEMBL16194280 0.79 EGFR (0.41) FGFR1EGFRSRC
SCHEMBL1982820 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EPLK2MAPTLMNA
SCHEMBL5266722 0.78 FGFR1 (0.35) ALDH1A1KDM4ELMNAFGFR1EGFR
SCHEMBL16193581 0.78 RIPK2 (0.45) FGFR1EGFRSRC
SCHEMBL13385778 0.77 PLK2 (0.44) ALDH1A1KDM4EPLK2LMNAFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889696-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2014-11-18 US disclosed
US-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-25 US disclosed
EP-2512250-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF Temple University - Of The Commonwealth System of Higher Education (US) 2012-10-24 EP disclosed
WO-2011075616-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-06-23 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 (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-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF MKI67, CCNA1, FOLR1 ALDH1A1 113/4885KDM4E 3219/4885PLK2 224/4885

“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.