SCHEMBL2012010

SCHEMBL2012010

C=CCOC(=O)c1cnc(SC)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
SYK P43405 1/20 0.41
AHR P35869 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL29506595 0.83 MAPT (0.61) MAPTHPGDMEN1KMT2ARAB9A
SCHEMBL188686 0.83 MAPT (0.61) MAPTHPGDMEN1KMT2ARAB9A
SCHEMBL3601469 0.82 CYP3A4 (0.50) MEN1KMT2ARAB9ACYP3A4ALDH1A1
SCHEMBL18673593 0.81 MAPT (0.51) MAPTHPGDMEN1KMT2ARAB9A
SCHEMBL17181073 0.81 MAPT (0.47) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL19185846 0.80 MEN1 (0.46) MAPTHPGDMEN1KMT2ARAB9A
SCHEMBL5211841 0.79 MEN1 (0.47) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL5808541 0.78 MEN1 (0.58) MAPTHPGDMEN1KMT2ARAB9A
SCHEMBL27686375 0.78 ALDH1A1 (0.48) MAPTMEN1KMT2ARAB9ACYP3A4
SCHEMBL21443520 0.78 MEN1 (0.44) MAPTHPGDMEN1KMT2ARAB9A

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 MAPT 2584/4885HPGD 2614/4885MEN1 565/4885

“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.