SCHEMBL3672005

SCHEMBL3672005

CN1C(=O)C[C@H]2CCCN2c2nc(Cl)ncc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.40
TTK P33981 5/20 0.40
PLK4 O00444 1/20 0.36
GAK O14976 1/20 0.36
STK33 Q9BYT3 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAD52 P43351 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 2/20 0.34
BRDT Q58F21 2/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34

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
SCHEMBL10098695 1.00 PLK1 (0.40) PLK1TTKPLK4GAKSTK33
SCHEMBL30135828 0.85 PLK1 (0.53) PLK1TTKPLK4GAKSTK33
SCHEMBL3546382 0.85 PLK1 (0.51) PLK1TTKPLK4GAKSTK33
SCHEMBL1203651 0.85 PLK1 (0.53) PLK1TTKPLK4GAKSTK33
SCHEMBL3537772 0.84 PLK1 (0.52) PLK1TTKPLK4GAKSTK33
SCHEMBL3539577 0.82 PLK1 (0.48) PLK1TTKPLK4GAKSTK33
SCHEMBL6840359 0.82 PRKDC (0.45) PLK1TTKPLK4GAKSTK33
SCHEMBL2340390 0.82 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL2340384 0.82 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL6844375 0.82 PRKDC (0.45) PLK1TTKPLK4GAKSTK33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
WO-2023018236-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
EP-2139892-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-01-06 EP disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 US 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-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 PLK1 1/4885TTK 220/4885PLK4 6/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 PLK1 1/4885TTK 530/4885PLK4 41/4885

“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.