SCHEMBL21958565

SCHEMBL21958565

Oc1cc2cn[nH]c2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
NOS1 P29475 6/20 0.44
MAPT P10636 3/20 0.44
METAP2 P50579 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
CSNK2A1 P68400 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FGFR1 P11362 3/20 0.43

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
SCHEMBL4150597 0.75 TRPA1 (0.44) CHEK1PIM1PIM3PIM2NOS1
SCHEMBL30544647 0.74 CHEK1 (0.47) CHEK1PIM1PIM3PIM2NOS1
SCHEMBL1601314 0.74 NOS1 (0.53) CHEK1PIM1PIM3PIM2NOS1
SCHEMBL29406909 0.74 NOS1 (0.53) CHEK1PIM1PIM3PIM2NOS1
SCHEMBL16371204 0.74 CHEK1 (0.57) CHEK1PIM1PIM3PIM2NOS1
SCHEMBL4435758 0.74 NOS1 (0.53) CHEK1PIM1PIM3PIM2NOS1
SCHEMBL29545399 0.74 NOS1 (0.53) CHEK1PIM1PIM3PIM2NOS1
SCHEMBL8296660 0.74 CHEK1 (0.47) CHEK1PIM1PIM3PIM2NOS1
SCHEMBL16179044 0.74 NOS1 (0.53) CHEK1PIM1PIM3PIM2NOS1
SCHEMBL17697323 0.74 CHEK1 (0.47) CHEK1PIM1PIM3PIM2NOS1

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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 CHEK1 269/4885PIM1 276/4885PIM3 139/4885

“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.