SCHEMBL6336909

SCHEMBL6336909

Cc1ncc(C=S)c(Nc2ccc(F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
TDP1 Q9NUW8 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
EGFR P00533 2/20 0.40
KDR P35968 1/20 0.39
HTR2C P28335 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 1/20 0.38
STK17A Q9UEE5 1/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5230508 0.84 EGFR (0.42) AURKACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3533350 0.73 IKBKB (0.30)
SCHEMBL6338113 0.72 SIRT5 (0.43) AURKAALDH1A1MAPTEGFRL3MBTL1
SCHEMBL4770475 0.71 PDK2 (0.30)
SCHEMBL4829937 0.69 PDK2 (0.36)
SCHEMBL12279562 0.67 AURKA (0.54) AURKAMAPTHPGDEGFRPOLB
SCHEMBL4186011 0.67 GABBR2 (0.43) TDP1CYP3A4CYP2D6KMT2AMAPK1
SCHEMBL4824670 0.67 CCNA2 (0.47) AURKAMAPTEGFRKDRHTR2C
SCHEMBL14038754 0.67 AURKA (0.45) AURKATDP1CYP1A2CYP3A4CYP2D6
SCHEMBL29912272 0.66 LMNA (0.67) AURKACYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861423-B2 Methods of treating p38 kinase-mediated disorders with pyrido[2,3-d]pyrimidin-7-one compounds SYNTEX (U.S.A.) LLC (US) 2005-03-01 US disclosed
US-20030153586-A1 7-oxo-pyridopyrimidines (I) SYNTEX (U.S.A) LLC 2003-08-14 US disclosed
EP-1315726-A1 7- OXO PYRIDOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
US-6506749-B2 Mitogen-activated protein kinases inhibitors SYNTEX (U.S.A.) LLC 2003-01-14 US disclosed
US-20020137756-A1 Mitogen-activated protein kinases inhibitors SYNTEX (U.S.A.) LLC 2002-09-26 US disclosed
WO-2002018380-A1 7-OXO PYRIDOPYRIMIDINES AS INHIBITORS OF A CELLULAR PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 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 (2 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-20020137756-A1 Mitogen-activated protein kinases inhibitors MAPK1, MAP3K1, CDK1 AURKA 249/4885TDP1 2056/4885CYP1A2 2786/4885
US-20030153586-A1 7-oxo-pyridopyrimidines (I) AR, PARP1, DPYD AURKA 277/4885TDP1 262/4885CYP1A2 86/4885

“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.