SCHEMBL3668034

SCHEMBL3668034

O=C1C[C@H]2CCCN2c2nc(Cl)ncc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIK3CA P42336 3/20 0.39
MTOR P42345 1/20 0.39
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CDK6 Q00534 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
GAA P10253 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
PIK3R1 P27986 2/20 0.31

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
SCHEMBL13261895 1.00 KDM4E (0.43) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL19105526 1.00 KDM4E (0.43) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL1203575 0.85 KDM4E (0.36) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL30135929 0.85 KDM4E (0.36) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL3666481 0.85 KDM4E (0.36) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL10098793 0.85 KDM4E (0.41) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL3544001 0.84 KDM4E (0.37) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL5936890 0.82 ALDH1A1 (0.64) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL3230980 0.82 OPRM1 (0.41) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL15223583 0.82 ALDH1A1 (0.64) KDM4EALDH1A1MAPTMEN1HPGD

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-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
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 KDM4E 1150/4885ALDH1A1 1365/4885MAPT 2296/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 KDM4E 1918/4885ALDH1A1 4008/4885MAPT 2055/4885

“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.