SCHEMBL22791979

SCHEMBL22791979

CSc1nc(O)cc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 0.41
FFAR4 Q5NUL3 1/20 0.39
RAF1 P04049 1/20 0.38
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
RORC P51449 1/20 0.32
ACACB O00763 2/20 0.31
ACACA Q13085 2/20 0.31

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
SCHEMBL21296467 0.84 FFAR4 (0.42) RETFFAR4KMT2AKDM4EMAPT
SCHEMBL28438540 0.78 RET (0.42) RETRAF1CKS1BSKP1SKP2
SCHEMBL28436519 0.77 RET (0.41) RETRAF1CKS1BSKP1SKP2
SCHEMBL21303042 0.74 MEN1 (0.47) RETRAF1KMT2A
SCHEMBL23657205 0.74 RET (0.47) RETRAF1
SCHEMBL29770946 0.74 RET (0.47) RETRAF1
SCHEMBL7394635 0.73 HTR3E (0.46) RETRAF1KMT2ACKS1BSKP1
SCHEMBL6701446 0.73 RET (0.45) RETRAF1
SCHEMBL7395341 0.73 RET (0.45) RETRAF1KMT2AKDM4ECKS1B
SCHEMBL20069375 0.72 RET (0.47) RETRAF1CKS1BSKP1SKP2

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-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRÖDINGER, INC. 2020-12-17 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-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC RET 185/4885FFAR4 3801/4885RAF1 300/4885

“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.