Sugi Predict

Sugi Predict / Compounds / SCHEMBL1203370

SCHEMBL1203370

SCHEMBL1203370

CC1(C)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ MARK3 P27448 2/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ MARK4 Q96L34 1/20 0.30

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
SCHEMBL4102107 0.99 MARK3 (0.32) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL1675845 0.89 KMT2A (0.32) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL3990067 0.88 HSD11B1 (0.32) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL1675820 0.88 KMT2A (0.32) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL2298460 0.86 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL4109249 0.86 CCNE1 (0.31) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL1203653 0.85 KDM4E (0.32) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL1559101 0.85 PLK1 (0.33) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL4103917 0.85 OPRM1 (0.32) MARK3MARK4
SCHEMBL2546566 0.85 PIK3R1 (0.32) —

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150320762-A1 TREATMENT OF PROLIFERATIVE DISEASES WITH PYRIMIDODIAZEPINONES CYCLACEL LIMITED (GB) 2015-11-12 — — US claimed
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 — — US claimed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 — — US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 — — US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 — — US disclosed
EP-2610256-B1 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LTD (GB) 2016-04-27 — — EP disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 — — US disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 — — US disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 — — US disclosed
US-20150320762-A1 TREATMENT OF PROLIFERATIVE DISEASES WITH PYRIMIDODIAZEPINONES CYCLACEL LIMITED (GB) 2015-11-12 — — US disclosed
US-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 — — US disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 — — US disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 — — US disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 — — US disclosed
US-7622463-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-24 — — US disclosed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — WO disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 — — US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 — — US disclosed
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 — — US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 — — 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 (7 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-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP4K2 KDM4E 791/4885MEN1 1938/4885ALDH1A1 2914/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 KDM4E 3977/4885MEN1 1408/4885ALDH1A1 422/4885
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 KDM4E 1150/4885MEN1 1136/4885ALDH1A1 1365/4885
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 KDM4E 2019/4885MEN1 3869/4885ALDH1A1 3626/4885
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK KDM4E 2195/4885MEN1 3731/4885ALDH1A1 4009/4885
US-20150320762-A1 TREATMENT OF PROLIFERATIVE DISEASES WITH PYRIMIDODIAZEPINONES CDK7, NR3C2, CCNH KDM4E 3599/4885MEN1 311/4885ALDH1A1 2593/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 KDM4E 2466/4885MEN1 3955/4885ALDH1A1 2608/4885

“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.