SCHEMBL828125

SCHEMBL828125

Cc1cnc2c(c1)CCN2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.53
GRM5 P41594 1/20 0.50
ASIC3 Q9UHC3 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.43
PARP10 Q53GL7 2/20 0.41
PARP11 Q9NR21 1/20 0.41
ADORA2A P29274 1/20 0.40
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
PARP1 P09874 1/20 0.37
PIK3CD O00329 1/20 0.36
UHRF1 Q96T88 1/20 0.34
ABL1 P00519 1/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MAP3K12 Q12852 1/20 0.33

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
Hydrochloric Acid SCHEMBL19695152 0.98 NNMT (0.51) NNMTGRM5ASIC3PIK3C3PARP10
SCHEMBL18068308 0.89 NNMT (0.55) NNMTGRM5ASIC3PIK3C3PARP10
SCHEMBL3349695 0.77 NNMT (0.50) NNMTGRM5ASIC3PIK3C3ADORA2A
SCHEMBL1723715 0.76 NNMT (0.53) NNMTGRM5ASIC3PIK3C3PARP10
SCHEMBL21573715 0.76 NNMT (0.57) NNMTGRM5ASIC3PIK3C3ADORA2A
SCHEMBL10283350 0.76 NNMT (0.53) NNMTGRM5ASIC3PIK3C3ADORA2A
SCHEMBL8385272 0.76 NNMT (0.53) NNMTGRM5ASIC3PIK3C3PARP10
SCHEMBL13154323 0.76 NNMT (0.57) NNMTGRM5ASIC3PIK3C3ADORA2A
SCHEMBL13004722 0.76 NNMT (0.53) NNMTGRM5ASIC3PIK3C3ADORA2A
SCHEMBL13538508 0.76 NNMT (0.53) NNMTGRM5ASIC3PIK3C3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-11-30 US disclosed
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2023-11-07 US disclosed
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ENLIVEN INC. (US) 2023-09-26 US disclosed
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-04-27 US disclosed
EP-3430017-B1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES UNIV CALIFORNIA (US) 2023-01-25 EP disclosed
US-20210371433-A1 Novel Monocyclic And Bicyclic Ring System Substituted Carbanucleoside Analogues For Use As PRMT5 Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 US disclosed
US-20210317111-A1 NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-10-14 US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
WO-2021013028-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-01-28 WO disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 EP disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
WO-2009112678-A2 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC 2009-03-19 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO disclosed
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US disclosed
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 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 (11 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-20210371433-A1 Novel Monocyclic And Bicyclic Ring System Substituted Carbanucleoside Analogues For Use As PRMT5 Inhibitors PRMT5, PRMT1, PRMT8 NNMT 63/4885GRM5 185/4885ASIC3 4670/4885
US-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS NNMT 1400/4885GRM5 4408/4885ASIC3 2981/4885
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor KIT, FLT3, FLT1 NNMT 343/4885GRM5 2040/4885ASIC3 3567/4885
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR NNMT 560/4885GRM5 904/4885ASIC3 4441/4885
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 NNMT 4318/4885GRM5 4405/4885ASIC3 2042/4885
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR NNMT 560/4885GRM5 904/4885ASIC3 4441/4885
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ABL1, ABL2, BCR NNMT 560/4885GRM5 904/4885ASIC3 4441/4885
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR NNMT 560/4885GRM5 904/4885ASIC3 4441/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 NNMT 3482/4885GRM5 4283/4885ASIC3 771/4885
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 NNMT 253/4885GRM5 121/4885ASIC3 735/4885
US-20210317111-A1 NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE FABP2, SLC10A2, NFKBIA NNMT 102/4885GRM5 952/4885ASIC3 2443/4885

“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.