SCHEMBL21154823

SCHEMBL21154823

CCCCC1(C)CCN(c2nc(C)c(-c3cccnc3OC)nc2CO)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.49
EGFR P00533 1/20 0.41
KCNH2 Q12809 1/20 0.41
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
APLNR P35414 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
MTOR P42345 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 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
SCHEMBL21154711 0.85 PTPN11 (0.49) PTPN11EGFRKCNH2PDCD1CD274
SCHEMBL19785556 0.84 PTPN11 (0.51) PTPN11EGFRKCNH2PDE1APDE1B
SCHEMBL21154408 0.80 PTPN11 (0.61) PTPN11EGFRKCNH2
SCHEMBL21154284 0.80 PTPN11 (0.54) PTPN11EGFRKCNH2
SCHEMBL25514469 0.79 PTPN11 (0.48) PTPN11EGFRKCNH2PDE1APDE1B
SCHEMBL21115084 0.79 PTPN11 (0.52) PTPN11EGFRKCNH2
SCHEMBL19785559 0.79 PTPN11 (0.52) PTPN11EGFRKCNH2
SCHEMBL21154433 0.78 PTPN11 (0.48) PTPN11EGFRKCNH2APLNR
SCHEMBL21154424 0.77 PTPN11 (0.49) PTPN11EGFRKCNH2
SCHEMBL25514461 0.74 PTPN11 (0.58) PTPN11EGFRKCNH2PDCD1CD274

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-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2019-07-11 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-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 PTPN11 12/4885EGFR 980/4885KCNH2 3436/4885

“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.