SCHEMBL20111960

SCHEMBL20111960

CN1CCCC2(CC1)CNC(=O)O2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
DRD1 P21728 1/20 0.50
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
CDK8 P49336 8/20 0.39
CDK19 Q9BWU1 8/20 0.39
CCNC P24863 5/20 0.39
PTPN11 Q06124 1/20 0.37
SMO Q99835 1/20 0.37

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
SCHEMBL1096010 0.93 LMNA (0.55) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL16001935 0.87 CYP2D6 (0.43) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL25051771 0.87 CYP2D6 (0.43) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL16564794 0.83 LMNA (0.49) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL21776132 0.81 LMNA (0.51) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL18355718 0.80 LMNA (0.46) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL22770864 0.80
SCHEMBL20007955 0.80 CYP2D6 (0.44) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL3062964 0.78 LMNA (0.45) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL23542595 0.77 LMNA (0.40) LMNACHRM2ADRA2ACYP2D6TSHR

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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2020-02-27 US disclosed
WO-2018081091-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. (US) 2018-05-03 WO 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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC LMNA 4793/4885CHRM2 4590/4885ADRA2A 4298/4885

“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.