SCHEMBL19785556

SCHEMBL19785556

COc1ncccc1-c1nc(CO)c(N2CCC3(CCCC3)CC2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.51
EGFR P00533 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2D6 P10635 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
MTOR P42345 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL25514469 0.85 PTPN11 (0.48) PTPN11EGFRKCNH2PDE1APDE1B
SCHEMBL21115084 0.84 PTPN11 (0.52) PTPN11EGFRKCNH2
SCHEMBL19785559 0.84 PTPN11 (0.52) PTPN11EGFRKCNH2
SCHEMBL19785078 0.84 PTPN11 (0.51) PTPN11EGFRKCNH2
SCHEMBL21154823 0.84 PTPN11 (0.49) PTPN11EGFRKCNH2PDE1APDE1B
SCHEMBL23425262 0.78 PTPN11 (0.51) PTPN11EGFRKCNH2
SCHEMBL24282666 0.78 PTPN11 (0.53) PTPN11EGFRKCNH2
SCHEMBL19785090 0.76 PTPN11 (0.58) PTPN11EGFRKCNH2
SCHEMBL25514549 0.76 PTPN11 (0.48) PTPN11EGFRKCNH2
SCHEMBL25514461 0.76 PTPN11 (0.58) PTPN11EGFRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed
US-20210154190-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER Revolution Medicines, Inc. 2021-05-27 US disclosed
WO-2018013597-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-01-18 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-20210154190-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER PTPN1, PTPN18, PTPN7 PTPN11 15/4885EGFR 491/4885KCNH2 4135/4885

“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.