SCHEMBL15034748

SCHEMBL15034748

CC(C)(C)Nc1ccc(CCN2CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MBTD1 Q05BQ5 1/20 0.56
▸ L3MBTL3 Q96JM7 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.53
▸ SIGMAR1 Q99720 4/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HRH1 P35367 1/20 0.45

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
SCHEMBL15236990 0.98 HRH3 (0.59) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL7901419 0.86 SIGMAR1 (0.55) HRH3L3MBTL3SIGMAR1
SCHEMBL21965770 0.83 HRH3 (0.59) HRH3L3MBTL1MBTD1L3MBTL3
SCHEMBL21965380 0.81 HRH3 (0.62) HRH3
SCHEMBL15280134 0.81 HRH3 (0.61) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL13006766 0.81 HRH3 (0.65) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL15242106 0.79 HRH3 (0.65) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL1899856 0.78 HRH3 (0.71) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL12666612 0.77 SIGMAR1 (0.78) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL19253115 0.77 HRH3 (0.71) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3

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 8 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-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 — — 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-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-19 — — 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 HRH3 1647/4885L3MBTL1 2532/4885MBTD1 3111/4885
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 HRH3 1785/4885L3MBTL1 2306/4885MBTD1 3370/4885
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 HRH3 1290/4885L3MBTL1 1712/4885MBTD1 3199/4885
US-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 HRH3 1070/4885L3MBTL1 1871/4885MBTD1 3194/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 HRH3 4198/4885L3MBTL1 2465/4885MBTD1 2330/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 HRH3 2867/4885L3MBTL1 3695/4885MBTD1 4082/4885

“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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