SCHEMBL12848802

SCHEMBL12848802

Cc1nc(Cl)cc2cc[nH]c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.46
KDM4E B2RXH2 1/20 0.39
JAK2 O60674 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MELK Q14680 1/20 0.39
STK24 Q9Y6E0 1/20 0.39
ROCK2 O75116 1/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL30381452 0.82 CHEK1 (0.49) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL1050400 0.82 CHEK1 (0.49) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL4243560 0.82 CHEK1 (0.41) CHEK1KDM4EJAK2RPS6KA3MELK
SCHEMBL1159123 0.79 CHEK1 (0.46) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL15760946 0.79 CHEK1 (0.43) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL12960747 0.76 CHEK1 (0.46) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL15540146 0.76 CHEK1 (0.43) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL1159567 0.75 JAK2 (0.48) CHEK1JAK2ROCK2
SCHEMBL1159618 0.75 JAK2 (0.49) CHEK1JAK2ROCK2
SCHEMBL4246806 0.74 ZAP70 (0.48) KDM4EALDH1A1GLAPOLBRAB9A

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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 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 (2 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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS SYK, BTK, LYN CHEK1 427/4885KDM4E 1659/4885JAK2 19/4885
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET CHEK1 900/4885KDM4E 2223/4885JAK2 63/4885

“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.