SCHEMBL17076844

SCHEMBL17076844

CNc1ccnc(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
ACHE P22303 1/20 0.42
ADRA1A P35348 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
TSHR P16473 1/20 0.41
MC4R P32245 1/20 0.41
MC3R P41968 1/20 0.41
SCN10A Q9Y5Y9 4/20 0.40
CBLB Q13191 1/20 0.40
NNMT P40261 2/20 0.40
GSK3B P49841 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
OPRM1 P35372 2/20 0.38
RAF1 P04049 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
TGFBR1 P36897 1/20 0.37

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
SCHEMBL1251612 0.83 KDM4E (0.55) ACHECBLBKDM4EALDH1A1
SCHEMBL25906166 0.81 GRIN2D (0.34) APPADRA1ACBLBGRIN2DGRIN3B
SCHEMBL16571764 0.81 GRIN2D (0.34) APPADRA1ACBLBGRIN2DGRIN3B
SCHEMBL14566951 0.81 KDR (0.48) TSHRCBLBKDM4EALDH1A1RAF1
SCHEMBL31633807 0.81 PRKD1 (0.41) ADRA1AADORA3TSHRMC4RMC3R
SCHEMBL25754415 0.81 SCN10A (0.43) SCN10AOPRM1TGFBR1
SCHEMBL27061642 0.81 PRKD1 (0.41) ADRA1AADORA3TSHRMC4RMC3R
SCHEMBL24799619 0.80 AR (0.55) ACHEKDM4EALDH1A1
SCHEMBL28292635 0.80 SCN10A (0.44) ADRA1AADORA3TSHRMC4RMC3R
SCHEMBL2441972 0.79 ADORA3 (0.39) ADRA1AADORA3TSHRMC4RMC3R

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834441-B2 Substituted tetrahydrofurans as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-12-05 US disclosed
WO-2023220440-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
WO-2023091644-A2 HSD17B13-RELATED DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-05-25 WO disclosed
WO-2023049218-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-03-30 WO disclosed
WO-2022099159-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2022-05-12 WO disclosed
WO-2021237223-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2021-11-25 WO disclosed
US-20210198241-A1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2021-07-01 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
WO-2020146682-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-16 WO disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 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 (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-11834441-B2 Substituted tetrahydrofurans as modulators of sodium channels TRPV1, TRPA1, SCN2B APP 2745/4885ACHE 856/4885ADRA1A 715/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK APP 917/4885ACHE 713/4885ADRA1A 1593/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK APP 797/4885ACHE 766/4885ADRA1A 1501/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK APP 917/4885ACHE 713/4885ADRA1A 1593/4885
US-20210198241-A1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS TRPV1, TRPA1, SCN2B APP 2745/4885ACHE 856/4885ADRA1A 715/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK APP 850/4885ACHE 686/4885ADRA1A 1644/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK APP 850/4885ACHE 686/4885ADRA1A 1644/4885

“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.