SCHEMBL1980608

SCHEMBL1980608

CSc1ncc2cc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(=O)[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTR6 P50406 5/20 0.40
GRM5 P41594 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PABPC1 P11940 1/20 0.39
AGTR1 P30556 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SOS1 Q07889 1/20 0.36
MAPT P10636 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL1978540 0.82 TP53 (0.42) TP53POLBTDP1HTR6GRM5
SCHEMBL13385826 0.81 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13385772 0.78 PLK2 (0.45) TP53HTR6GRM5MEN1KMT2A
SCHEMBL13385794 0.75 PLK2 (0.56) TP53POLBTDP1SOS1
SCHEMBL6073545 0.74 HPGD (0.40) TP53MEN1KMT2AALDH1A1HPGD
SCHEMBL6073419 0.74 MEN1 (0.43) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL31637509 0.74 MEN1 (0.43) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL13554950 0.73 JAK2 (0.40) TP53POLBTDP1SOS1
SCHEMBL25231714 0.70 SIK2 (0.49) TDP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL21990251 0.69 SIK2 (0.43) POLBMEN1KMT2AKDM4EALDH1A1

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 TP53 81/4885POLB 1063/4885TDP1 1833/4885

“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.