SCHEMBL17095076

SCHEMBL17095076

Cc1cccc(C=CC(N)=O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD44 P16070 1/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ IAPP P10997 3/20 0.39
▸ PTGER1 P34995 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PELI1 Q96FA3 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NFE2L2 Q16236 3/20 0.36
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ JUN P05412 1/20 0.35

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
SCHEMBL30560977 0.84 PTPN1 (0.40) PTPN1CCNCCDK8IAPPPTGER1
SCHEMBL28358892 0.83 ALDH1A1 (0.48) PTPN1CCNCCDK8LMNAMAPT
SCHEMBL1124329 0.83 ALDH1A1 (0.48) PTPN1CCNCCDK8LMNAMAPT
SCHEMBL30560932 0.83 ALDH1A1 (0.48) PTPN1CCNCCDK8LMNAMAPT
SCHEMBL1124331 0.83 ALDH1A1 (0.48) PTPN1CCNCCDK8LMNAMAPT
SCHEMBL16507826 0.79 CD44 (0.41) CD44IAPPPTGER1PTGER4PTGER3
SCHEMBL30560968 0.77 DRD2 (0.40) CCNCCDK8LMNAALDH1A1HPGD
SCHEMBL8837423 0.77 CYP1A2 (0.38) PTPN1CCNCCDK8IAPPPTGER1
SCHEMBL8837424 0.77 CYP1A2 (0.38) PTPN1CCNCCDK8IAPPPTGER1
SCHEMBL2328371 0.76 NFKB1 (0.50) PTPN1CCNCCDK8LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CD44 4152/4885PTPN1 637/4885CCNC 2580/4885

“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.

Send feedback