SCHEMBL15030167

SCHEMBL15030167

CNc1ccc(C2C[C@@H](C)N[C@@H](C)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.40
TSHR P16473 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
APP P05067 1/20 0.31
HSD17B10 Q99714 3/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
RECQL P46063 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL15281595 0.80 ADRA2A (0.44) ADRA2AADRA2BADRA2C
SCHEMBL15785208 0.80 TDP1 (0.39) TSHRHSD17B10ALDH1A1RECQLTP53
SCHEMBL15034737 0.80
SCHEMBL13105726 0.80 SLC18A3 (0.41) SLC18A3TSHRADRA2AADRA2BADRA2C
SCHEMBL26938568 0.78 MAPT (0.42) SLC18A3CYP2C19ALDH1A1CYP3A4SLC6A2
SCHEMBL13314952 0.78 MAPT (0.42) SLC18A3CYP2C19ALDH1A1CYP3A4SLC6A2
SCHEMBL16510459 0.76 CYP19A1 (0.35) SLC18A3ALDH1A1
SCHEMBL768116 0.75 SLC18A3 (0.45) SLC18A3ADRA2AHSD17B10CYP2C19CYP3A4
SCHEMBL13844335 0.74 SLC18A3 (0.54) SLC18A3TSHRAPPHSD17B10ALDH1A1
SCHEMBL4204482 0.74 SLC18A3 (0.42) SLC18A3TSHRSLC6A2SLC6A4SLC6A3

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-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-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-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
WO-2013086451-A2 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-13 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 (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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 SLC18A3 1245/4885TSHR 2406/4885ADRA2A 3772/4885
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 SLC18A3 1262/4885TSHR 2964/4885ADRA2A 3490/4885
US-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 SLC18A3 1424/4885TSHR 2953/4885ADRA2A 3876/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 SLC18A3 4738/4885TSHR 4317/4885ADRA2A 4330/4885
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 SLC18A3 2462/4885TSHR 3155/4885ADRA2A 3138/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 SLC18A3 672/4885TSHR 4760/4885ADRA2A 2438/4885

“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.