Sugi Predict

Sugi Predict / Compounds / SCHEMBL1984401

SCHEMBL1984401

SCHEMBL1984401

CCn1c(=O)c(S(=O)(=O)c2ccccc2)cc2cnc(SC)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ KDM4E B2RXH2 7/20 0.43
▸ PLK2 Q9NYY3 2/20 0.41
▸ FGFR1 P11362 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ HTR6 P50406 3/20 0.37
▸ PKM P14618 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CCNB2 O95067 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
SCHEMBL1983581 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EPLK2FGFR1HTR6
SCHEMBL13385828 0.85 PLK2 (0.54) ALDH1A1KDM4EPLK2FGFR1HTR6
SCHEMBL13385887 0.81 MEN1 (0.39) ALDH1A1KDM4EPLK2KMT2ACDK4
SCHEMBL13385892 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EPLK2FGFR1HTR6
SCHEMBL1982506 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EPLK2FGFR1EGFR
SCHEMBL660415 0.79 BTK (0.51) FGFR1EGFRSRC
SCHEMBL13385755 0.79 KMT2A (0.45) PLK2FGFR1KMT2ACDK4CCNA2
SCHEMBL16194033 0.78 EGFR (0.42) FGFR1EGFRSRC
SCHEMBL5264435 0.77 FGFR1 (0.37) ALDH1A1KDM4EFGFR1EGFRLMNA
SCHEMBL1981834 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EPLK2HTR6LMNA

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.