SCHEMBL21651968

SCHEMBL21651968

CCN1CCC(C)(C(=O)NCC(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
RET P07949 3/20 0.36
MMP1 P03956 2/20 0.33
MMP8 P22894 1/20 0.33
TRPA1 O75762 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
EPHX1 P07099 2/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 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
SCHEMBL22857028 0.89 KDM4E (0.38) KDM4ECYP2D6RETMMP1MMP8
SCHEMBL20069677 0.83 CYP2C19 (0.46) KDM4ECYP2D6CYP2C19RETMMP1
SCHEMBL25504417 0.82 CYP2C19 (0.38) KDM4ECYP2D6CYP2C19RETMMP1
SCHEMBL22857055 0.78 KDM4E (0.47) KDM4ECYP2D6CYP2C19RETMMP1
SCHEMBL25504419 0.77 RET (0.36) KDM4ECYP2D6CYP2C19RETMMP1
SCHEMBL21652055 0.76 RET (0.43) KDM4ECYP2D6CYP2C19RET
SCHEMBL18390121 0.75 MMP9 (0.37) KDM4ECYP2D6CYP2C19RETMMP1
SCHEMBL20069774 0.74 KDM4E (0.46) KDM4ECYP2D6CYP2C19RETSMN1; SMN2
SCHEMBL20965467 0.73 ACACB (0.38) KDM4ECYP2D6RETMMP1OPRM1
SCHEMBL20206000 0.73 KDM4E (0.45) KDM4ECYP2D6CYP2C19RET

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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 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 (2 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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 KDM4E 547/4885CYP2D6 3759/4885CYP2C19 4137/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 KDM4E 547/4885CYP2D6 3759/4885CYP2C19 4137/4885

“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.