SCHEMBL20206004

SCHEMBL20206004

CCN1CCN(CC2(NC(=O)c3cc(F)ccc3F)CCN(C(C)S)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.48
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PSMB11 A5LHX3 1/20 0.36
PSMA7 O14818 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMA1 P25786 1/20 0.36
PSMA2 P25787 1/20 0.36
PSMA3 P25788 1/20 0.36
PSMA4 P25789 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB9 P28065 1/20 0.36
PSMA5 P28066 1/20 0.36
PSMB4 P28070 1/20 0.36
PSMB6 P28072 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB10 P40306 1/20 0.36
PSMB3 P49720 1/20 0.36

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
SCHEMBL20147595 0.92 RET (0.49) RETTSHRGAAKDM4ELMNA
SCHEMBL25503846 0.91 RET (0.49) RETTSHRKDM4ELMNAHSD11B1
SCHEMBL20158496 0.90 RET (0.53) RETTSHRKDM4ELMNAPSMB11
SCHEMBL20068939 0.87 RET (0.51) RETTSHRKDM4ELMNAHSD11B1
SCHEMBL20147587 0.83 RET (0.50) RETTSHRKDM4ELMNAHSD11B1
SCHEMBL20069673 0.78 RET (0.52) RETTSHRKDM4ELMNAHSD11B1
SCHEMBL21652022 0.75 CCR3 (0.50) RETTSHRKDM4ELMNAPSMB11
SCHEMBL20147936 0.74 RET (0.47) RETP2RX7
SCHEMBL20158879 0.74 RET (0.54) RETTSHRHSD11B1L3MBTL1P2RX7
SCHEMBL20158534 0.73 RET (0.49) RETKDM4EL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885TSHR 1441/4885GAA 3183/4885

“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.