SCHEMBL4491472

SCHEMBL4491472

CC[C@H]1COc2cccc(N)c2C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PTK2 Q05397 1/20 0.34
AR P10275 1/20 0.33
GAA P10253 2/20 0.32
CNR2 P34972 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
ADAM17 P78536 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5 P09917 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
ALPL P05186 1/20 0.30
MGAM O43451 1/20 0.30
AMY1A P0DUB6 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL4491478 1.00 BRD4 (0.35) BRD4CREBBPPTK2ARGAA
SCHEMBL12714486 1.00 BRD4 (0.35) BRD4CREBBPPTK2ARGAA
SCHEMBL12749091 0.89 AR (0.35) ARGAA
SCHEMBL13756993 0.87 HTR2A (0.39) BRD4CREBBPPTK2ARGAA
SCHEMBL10274708 0.87 HTR2A (0.39) BRD4CREBBPPTK2ARGAA
SCHEMBL13802128 0.87 HTR2A (0.39) BRD4CREBBPPTK2ARGAA
SCHEMBL12749100 0.86 CREBBP (0.33) CREBBPGAAALPL
SCHEMBL12714449 0.85 CDC7 (0.34) GAACNR2PARP1SMN1; SMN2
SCHEMBL12714481 0.85 CDC7 (0.34) GAACNR2PARP1SMN1; SMN2
SCHEMBL12749298 0.83 HDAC1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989198-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT AND/OR PREVENTION OF CANCER, INFECTIONS, INFLAMMATORY AND AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM INT (DE) 2013-10-09 EP disclosed
EP-1989198-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT AND/OR PREVENTION OF CANCER, INFECTIONS, INFLAMMATORY AND AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM INT (DE) 2013-10-09 EP disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 US disclosed
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 US disclosed
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
EP-1989198-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT AND/OR PREVENTION OF CANCER, INFECTIONS, INFLAMMATORY AND AUTOIMMUNE DISORDERS Boehringer Ingelheim International GmbH (DE) 2008-11-12 EP disclosed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 US disclosed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 US disclosed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 US disclosed
WO-2007096351-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT AND/OR PREVENTION OF CANCER, INFECTIONS, INFLAMMATORY AND AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 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 (4 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP BRD4 2137/4885CREBBP 2662/4885PTK2 833/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP BRD4 2137/4885CREBBP 2662/4885PTK2 833/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP BRD4 2137/4885CREBBP 2662/4885PTK2 833/4885
US-20070207999-A1 New Compounds CCNA1, MKI67, CCNT1 BRD4 1667/4885CREBBP 1665/4885PTK2 1506/4885

“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.