SCHEMBL15034735

SCHEMBL15034735

CCN1CCC(c2ccc(NC(C)(C)C)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
SYK P43405 2/20 0.41
DRD4 P21917 1/20 0.41
RECQL P46063 1/20 0.40
TP53 P04637 1/20 0.38
UBE2M P61081 2/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
OPRL1 P41146 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM2 Q14416 1/20 0.37
DRD2 P14416 2/20 0.36
SLC6A4 P31645 2/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL15030164 0.86 KDM4E (0.47) KDM4ESYKDRD4RECQLTP53
SCHEMBL15034740 0.86 APP (0.47) SYKOPRL1JAK2
SCHEMBL15034746 0.83 SYK (0.41) SYKDRD4OPRL1GRM2JAK2
SCHEMBL6924461 0.80 KDM4E (0.51) KDM4ESYKOPRL1L3MBTL1GRM2
SCHEMBL15034741 0.79 APP (0.45) SYKSLC6A4
SCHEMBL15787991 0.79 DRD4 (0.47) KDM4ESYKDRD4DRD2SLC6A4
SCHEMBL23291498 0.77 ALDH1A1 (0.45) KDM4ESYKDRD4DRD2SLC6A4
SCHEMBL14809797 0.77 KDM4E (0.46) KDM4ESYKDRD4OPRL1L3MBTL1
SCHEMBL15034742 0.77 DRD2 (0.47) DRD4RECQLDRD2SLC6A4
SCHEMBL15785386 0.75 KDM4E (0.41) KDM4ESYKDRD4GRM2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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 (6 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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 KDM4E 1627/4885SYK 908/4885DRD4 2882/4885
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 KDM4E 2390/4885SYK 1163/4885DRD4 4477/4885
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 KDM4E 2360/4885SYK 1384/4885DRD4 4293/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 KDM4E 2052/4885SYK 1468/4885DRD4 4875/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 KDM4E 1213/4885SYK 1037/4885DRD4 3943/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 KDM4E 3807/4885SYK 3255/4885DRD4 4835/4885

“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.