SCHEMBL15030355

SCHEMBL15030355

CNc1ccc(NC2CCCN(C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KAT2B Q92831 11/20 0.46
BPTF Q12830 1/20 0.45
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
IL1B P01584 3/20 0.40
NLRP3 Q96P20 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15030352 0.90 POLB (0.57) POLBKAT2BIL1BNLRP3
SCHEMBL24171950 0.87 POLB (0.46) POLBKAT2BBPTFROCK2ROCK1
SCHEMBL12676513 0.85 POLB (0.49) POLBKAT2BBPTFROCK2ROCK1
SCHEMBL24596920 0.85 POLB (0.45) POLBKAT2BBPTFROCK2ROCK1
SCHEMBL10370056 0.85 POLB (0.66) POLBKAT2BBPTFROCK2ROCK1
SCHEMBL24596921 0.85 POLB (0.45) POLBKAT2BBPTFROCK2ROCK1
SCHEMBL24596895 0.85 POLB (0.45) POLBKAT2BBPTFROCK2ROCK1
SCHEMBL15120065 0.85 KMT2A (0.52) NLRP3KMT2A
SCHEMBL23976028 0.83 RAB9A (0.53) ROCK2
SCHEMBL13555031 0.83 ROCK2 (0.44) POLBKAT2BBPTFROCK2ROCK1

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 12 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-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-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-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
WO-2011156780-A2 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 WO disclosed
WO-2011156775-A2 8-(2'-HETEROCYCYL)PYRIDO[2.3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 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 (7 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 POLB 4522/4885KAT2B 1984/4885BPTF 4458/4885
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 POLB 3754/4885KAT2B 1985/4885BPTF 4642/4885
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 POLB 3165/4885KAT2B 1952/4885BPTF 4360/4885
US-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 POLB 3497/4885KAT2B 2141/4885BPTF 4380/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 POLB 2459/4885KAT2B 838/4885BPTF 1612/4885
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 POLB 3181/4885KAT2B 2944/4885BPTF 3522/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 POLB 2250/4885KAT2B 650/4885BPTF 4693/4885

“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.