SCHEMBL20205893

SCHEMBL20205893

CCSC(C)N1CCC(C)(NC(=O)c2cncc(Cl)c2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.40
P2RX7 Q99572 14/20 0.34
CCR5 P51681 1/20 0.33
SLC6A9 P48067 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL20147624 0.86 RET (0.41) RETP2RX7CCR5
SCHEMBL20069181 0.80 RET (0.43) RETP2RX7SLC6A9HDAC3HDAC4
SCHEMBL20147578 0.69 MT-CO2 (0.46) RETP2RX7
SCHEMBL20147627 0.68 RET (0.43) RETP2RX7
SCHEMBL20158860 0.68 TAS1R3 (0.43) RETP2RX7
SCHEMBL20147647 0.67 SMYD3 (0.45) RETP2RX7SLC6A9
SCHEMBL20147632 0.67 RET (0.41) RETP2RX7HDAC3HDAC1HDAC2
SCHEMBL20158552 0.66 RET (0.42) RETP2RX7
SCHEMBL20147616 0.66 GAA (0.43) RETP2RX7
SCHEMBL20147625 0.65 RET (0.43) RET

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 1/4885P2RX7 1456/4885CCR5 1830/4885

“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.