SCHEMBL21362939

SCHEMBL21362939

CC(C)c1ncnc2c1CCNC2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.34
KCNH2 Q12809 2/20 0.34
KDR P35968 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
HTR2C P28335 5/20 0.33
HTR2A P28223 4/20 0.33
HTR2B P41595 4/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTR5A P47898 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
NR2E1 Q9Y466 1/20 0.30
PNMT P11086 1/20 0.30

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
SCHEMBL12305726 0.86 HTR2C (0.35) SIGMAR1HTR2CHTR2AHTR2BCHRM2
SCHEMBL25678467 0.78 CYP1A2 (0.36) KDRHTR2CHTR2AHTR2BPNMT
SCHEMBL17041851 0.74 DRD1 (0.35) KDM4E
SCHEMBL12305601 0.74 TSHR (0.35) KDM4E
SCHEMBL21003216 0.73 CHRM2 (0.50) KCNH2KDRSIGMAR1HTR2CHTR2A
SCHEMBL22701652 0.73 TSHR (0.34) KDM4E
SCHEMBL21036380 0.73 HTR2C (0.33) PRKDCKCNH2HTR2CHTR2AHTR2B
SCHEMBL4987970 0.73 CD44 (0.38) KDRHTR2CPNMT
SCHEMBL17298716 0.73 KDM4E (0.33) PRKDCKCNH2KDRHTR2CHTR2A
SCHEMBL21096600 0.73 TSHR (0.34) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC (US) 2021-01-28 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 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 (3 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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP PRKDC 1696/4885KCNH2 4784/4885KDR 3727/4885
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 PRKDC 1117/4885KCNH2 4751/4885KDR 2584/4885
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, PNKP PRKDC 1426/4885KCNH2 4790/4885KDR 3932/4885

“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.