SCHEMBL15034736

SCHEMBL15034736

CN(C)Cc1cccc(NC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
NOS1 P29475 3/20 0.44
NOS2 P35228 1/20 0.44
ACP1 P24666 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
HTR7 P34969 1/20 0.40
CAMK2D Q13557 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 1/20 0.37
RIPK1 Q13546 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL16236758 0.81 RAPGEF4 (0.51) ALDH1A1GAAHPGD
SCHEMBL13884327 0.81 RAPGEF4 (0.40) ALDH1A1LMNAHPGD
SCHEMBL23134330 0.80 NOS1 (0.51) ALDH1A1TSHRNOS1NOS2ACP1
SCHEMBL6175219 0.79 TSHR (0.50) ALDH1A1TSHRNOS1NOS2ACP1
SCHEMBL27112966 0.78 HTR6 (0.46) ALDH1A1NOS1NOS2
SCHEMBL4200353 0.78 NOS1 (0.49) ALDH1A1TSHRNOS1NOS2ACP1
SCHEMBL10294036 0.78 PDK1 (0.53) ALDH1A1TSHRLMNAKDM1ARCOR1
SCHEMBL30704883 0.78 NOS1 (0.49) ALDH1A1TSHRNOS1NOS2ACP1
SCHEMBL26328530 0.78 RAPGEF4 (0.38) ALDH1A1LMNAHPGD
SCHEMBL15034739 0.77 HRH3 (0.52) ALDH1A1TSHRNOS1NOS2ACP1

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-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-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-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 ALDH1A1 2379/4885TSHR 1941/4885NOS1 4527/4885
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 ALDH1A1 2953/4885TSHR 2406/4885NOS1 4598/4885
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 ALDH1A1 3172/4885TSHR 2964/4885NOS1 4681/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 ALDH1A1 2622/4885TSHR 4317/4885NOS1 3953/4885
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 ALDH1A1 1936/4885TSHR 3155/4885NOS1 4640/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 ALDH1A1 2566/4885TSHR 4760/4885NOS1 1973/4885

“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.