SCHEMBL516053

SCHEMBL516053

CC(C)C(CO)Nc1nc(Cl)nc2c1SCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ CX3CR1 P49238 1/20 0.32
▸ CDK2 P24941 4/20 0.31
▸ CCNE1 P24864 2/20 0.31
▸ CCNA2 P20248 3/20 0.30
▸ CCNA1 P78396 3/20 0.30
▸ CDK5 Q00535 3/20 0.30
▸ DYRK1A Q13627 3/20 0.30
▸ CDK5R1 Q15078 3/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ CCNB2 O95067 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ TP53 P04637 2/20 0.30
▸ CYP1A2 P05177 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ CCNB1 P14635 2/20 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
SCHEMBL373987 1.00 CDK1 (0.32) CDK1CXCR2CX3CR1CDK2CCNE1
SCHEMBL19560018 0.83 — —
SCHEMBL975147 0.80 TLR8 (0.36) CXCR2CX3CR1
SCHEMBL373879 0.80 TLR8 (0.36) CXCR2CX3CR1
SCHEMBL18684005 0.74 PANK3 (0.39) MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL15976851 0.73 TACR2 (0.41) CDK1CDK2CCNE1KDM4EALDH1A1
SCHEMBL18683882 0.73 — —
SCHEMBL19559986 0.73 CDK1 (0.36) CDK1CDK2CCNE1CCNA2CCNA1
SCHEMBL18683972 0.73 CCNA2 (0.36) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL186950 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 — — EP disclosed
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 — — EP disclosed
EP-2205609-B1 HETEROCYCLE SUBSTITUTED PIPERAZINO DIHYDROTHIENO PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2017-03-29 — — EP disclosed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 — — EP disclosed
US-9161927-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-20 — — US disclosed
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 — — US disclosed
US-9090626-B2 Piperazino-dihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-28 — — US disclosed
US-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 — — US disclosed
US-8877758-B2 Combinations of medicaments, containing PDE4-inhibitors and EP4-receptor-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 — — US disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 — — EP disclosed
WO-2011124524-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 — — WO disclosed
WO-2011124525-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 — — WO disclosed
US-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 — — US disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — US disclosed
WO-2010097332-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — WO disclosed
WO-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — WO disclosed
WO-2009053268-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — WO disclosed
WO-2009050242-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 — — 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 (5 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-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS PTGER4, PTGER1, PDE4A CDK1 1371/4885CXCR2 348/4885CX3CR1 844/4885
US-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES DPYD, PRDX5, PRDX1 CDK1 237/4885CXCR2 196/4885CX3CR1 70/4885
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES SULT2A1, DPYD, HRH2 CDK1 101/4885CXCR2 168/4885CX3CR1 69/4885
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 CDK1 182/4885CXCR2 217/4885CX3CR1 78/4885
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, DPM1, DDX41 CDK1 78/4885CXCR2 152/4885CX3CR1 77/4885

“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.

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