SCHEMBL1680882

SCHEMBL1680882

CCn1c(=O)c(Br)cc2cnc([S+](C)[O-])nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FGFR1 P11362 3/20 0.34
EGFR P00533 2/20 0.34
CDK4 P11802 6/20 0.33
CCND1 P24385 6/20 0.33
CCND2 P30279 6/20 0.33
CCND3 P30281 6/20 0.33
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
SRC P12931 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
SCHEMBL5266722 0.86 FGFR1 (0.35) BTKKDM4EALDH1A1GLAGAA
SCHEMBL13553975 0.82 WEE1 (0.38) HSD17B10FGFR1EGFRCDK4CCND1
SCHEMBL661106 0.79 RIPK2 (0.49) BTKFGFR1EGFRSRCRIPK2
SCHEMBL12070065 0.79 BTK (0.50) BTKKDM4EALDH1A1GLAGAA
SCHEMBL14824734 0.79 SIK1 (0.41) FGFR1EGFRSIK1SIK2SIK3
SCHEMBL1681121 0.79 PAK1 (0.46) FGFR1EGFRSIK1SIK2SIK3
SCHEMBL15216886 0.79 DDR1 (0.39) BTK
SCHEMBL16193568 0.78 RIPK2 (0.43) BTKFGFR1EGFRSRCRIPK2
SCHEMBL14301174 0.78 BTK (0.46) BTKKDM4EALDH1A1GLAGAA
SCHEMBL22200529 0.77 CCND1 (0.49) ALDH1A1GLAMAPK1HSD17B10FGFR1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020142612-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH, INC. (US) 2020-07-09 WO disclosed
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-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-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
WO-2014179496-A1 SERINE/THREONINE KINASE INHIBITORS AFRAXIS HOLDINGS, INC. (US) 2014-11-06 WO disclosed
US-20140323478-A1 SERINE/THREONINE KINASE INHIBITORS AFRAXIS HOLDINGS, INC. (US) 2014-10-30 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-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-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
EP-2694504-A2 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) 2014-02-12 EP disclosed
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 US disclosed
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 US disclosed
US-20120270866-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS INC. (US) 2012-10-25 US disclosed
US-20120270866-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS INC. (US) 2012-10-25 US disclosed
US-20120270866-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS INC. (US) 2012-10-25 US disclosed
EP-2486037-A2 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS Afraxis, Inc. (US) 2012-08-15 EP disclosed
WO-2011159945-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2011-12-22 WO disclosed
WO-2011156646-A2 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 WO disclosed
WO-2011156646-A2 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 WO disclosed
WO-2011044535-A2 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-04-14 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 (4 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-20140323478-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, PAK2, AKT1 BTK 680/4885KDM4E 3009/4885ALDH1A1 1904/4885
US-20120270866-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 BTK 681/4885KDM4E 1376/4885ALDH1A1 2756/4885
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 BTK 681/4885KDM4E 1376/4885ALDH1A1 2756/4885
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 BTK 593/4885KDM4E 1213/4885ALDH1A1 1936/4885

“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.