SCHEMBL762002

SCHEMBL762002

Cc1ccc2nsnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.54
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
NQO2 P16083 1/20 0.48
KDM4E B2RXH2 4/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN1 P18031 1/20 0.39
NCK1 P16333 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL7548986 0.83 NPC1 (0.40) PTPN11RAB9ANPC1NQO2KDM4E
SCHEMBL3858998 0.74 PTPN11 (0.58) PTPN11RAB9ANPC1KDM4ETXNRD1
SCHEMBL367773 0.73 PTPN11 (0.44) PTPN11RAB9ANPC1NQO2KDM4E
SCHEMBL2756741 0.70 NQO2 (0.85) RAB9ANQO2KDM4ETDP1CYP1A2
SCHEMBL9927345 0.70 NQO2 (0.85) RAB9ANQO2KDM4ETDP1CYP1A2
SCHEMBL1824598 0.70 PTPN11 (0.54) PTPN11RAB9ANPC1KDM4ETXNRD1
SCHEMBL4830150 0.70 PTPN11 (0.54) PTPN11RAB9ANPC1KDM4ETXNRD1
SCHEMBL2729225 0.70 PTPN11 (0.54) PTPN11RAB9ANPC1KDM4ETXNRD1
SCHEMBL2728344 0.70 PTPN11 (0.54) PTPN11RAB9ANPC1KDM4ETXNRD1
SCHEMBL19707 0.70 PTPN11 (0.54) PTPN11RAB9ANPC1KDM4ETXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP claimed
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US claimed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US claimed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP claimed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US claimed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-1998025888-A1 PROCESS FOR PREPARING ISOCYANATES FROM PRIMARY AMINES WHICH ARE NOT READILY DISSOLVED BAYER AKTIENGESELLSCHAFT (DE) 1998-06-18 WO claimed
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
WO-2023225244-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2023-11-23 WO disclosed
WO-1998041521-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-24 WO disclosed
WO-1998027076-A1 PROCESS FOR PREPARING 2,1,3-BENZOTHIADIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998025888-A1 PROCESS FOR PREPARING ISOCYANATES FROM PRIMARY AMINES WHICH ARE NOT READILY DISSOLVED BAYER AKTIENGESELLSCHAFT (DE) 1998-06-18 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 (5 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-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, KRAS, RAF1 PTPN11 717/4885RAB9A 687/4885NPC1 3977/4885
US-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 PTPN11 2404/4885RAB9A 579/4885NPC1 2221/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 PTPN11 1241/4885RAB9A 1615/4885NPC1 790/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 PTPN11 1240/4885RAB9A 1619/4885NPC1 804/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 PTPN11 1241/4885RAB9A 1615/4885NPC1 790/4885

“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.