SCHEMBL2228100

SCHEMBL2228100

COc1cc(C2=CCN(C(=O)O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.57
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
NAMPT P43490 1/20 0.40
CHEK1 O14757 5/20 0.39
ABCB1 P08183 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2228095 1.00 QDPR (0.57) QDPRALDH1A1LMNASIRT6KDM4E
SCHEMBL17197300 0.91 QDPR (0.69) QDPRALDH1A1LMNASIRT6NAMPT
SCHEMBL28435175 0.88 QDPR (0.46) QDPRALDH1A1LMNAKDM4EALOX15
SCHEMBL20516333 0.88 QDPR (0.54) QDPRALDH1A1LMNASIRT6NAMPT
SCHEMBL17197280 0.88 QDPR (0.54) QDPRALDH1A1LMNASIRT6KDM4E
SCHEMBL30957987 0.86 QDPR (0.52) QDPRALDH1A1LMNANAMPTMAPT
SCHEMBL17197370 0.86 QDPR (0.52) QDPRALDH1A1LMNASIRT6KDM4E
SCHEMBL520721 0.86 QDPR (0.52) QDPRALDH1A1LMNANAMPTMAPT
SCHEMBL17197282 0.85 QDPR (0.51) QDPRALDH1A1LMNASIRT6KDM4E
SCHEMBL17398277 0.85 QDPR (0.47) QDPRALDH1A1LMNAKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675794-B1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2019-02-13 EP disclosed
US-9174946-B2 Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-11-03 US disclosed
US-9120761-B2 Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-09-01 US disclosed
US-8975250-B2 5 oxo-5,8-dihydropyrido[2,3-d]pyrimidine derivatives as CaMKII kinase inhibitors for treating cardiovascular diseases SANOFI (FR) 2015-03-10 US disclosed
EP-2675794-A1 SELECTIVE FAK INHIBITORS Cancer Therapeutics Crc Pty Limited (AU) 2013-12-25 EP disclosed
EP-2521726-B1 5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASES INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES SANOFI SA (FR) 2013-12-18 EP disclosed
US-20130324546-A1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-12-05 US disclosed
US-20130022594-A1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-01-24 US disclosed
EP-2521726-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-14 EP disclosed
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-01 US disclosed
WO-2012110774-A1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2012-08-23 WO disclosed
WO-2011086306-A9 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-10-27 WO disclosed
WO-2011086306-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-07-21 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 (3 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-20130324546-A1 SELECTIVE FAK INHIBITORS PTK2, CTTN, SRC QDPR 2799/4885ALDH1A1 2548/4885LMNA 2914/4885
US-20130022594-A1 SELECTIVE FAK INHIBITORS PTK2, CTTN, SRC QDPR 3114/4885ALDH1A1 3249/4885LMNA 2617/4885
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CAMKK1, CAMKK2, CAMK1 QDPR 385/4885ALDH1A1 2432/4885LMNA 3125/4885

“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.