SCHEMBL9918540

SCHEMBL9918540

CN1CCC(Oc2ccc(Nc3c(C(N)=O)nnc4[nH]ccc34)cc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.42
ERBB2 P04626 3/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
RORC P51449 1/20 0.41
ROCK2 O75116 1/20 0.41
SLC2A1 P11166 1/20 0.41
IGF1R P08069 1/20 0.41
GRK2 P25098 1/20 0.41
GRK5 P34947 1/20 0.41
MAPK8 P45983 1/20 0.41
GRK1 Q15835 1/20 0.41
RAF1 P04049 1/20 0.39
ARAF P10398 1/20 0.39
BRAF P15056 1/20 0.39
MAPK14 Q16539 1/20 0.39
CSF1R P07333 3/20 0.38
BRD4 O60885 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL9918545 0.82 CSF1R (0.46) CSF1R
SCHEMBL9921764 0.77 MEN1 (0.40) CSF1RBRD4
SCHEMBL9918539 0.76 CSF1R (0.36) EGFRERBB2RORCGRK5CSF1R
SCHEMBL9918522 0.76 CSF1R (0.38) EGFRERBB2CSF1R
SCHEMBL12833307 0.74 LRRK2 (0.43) GRK5CSF1RKCNH2
SCHEMBL9920231 0.72 JAK2 (0.48) EGFRERBB2JAK2JAK1JAK3
SCHEMBL9918535 0.71 JAK1 (0.38) EGFRERBB2JAK2JAK1JAK3
SCHEMBL9918520 0.69 CSF1R (0.32) EGFRJAK2JAK1JAK3MAPK8
SCHEMBL12833305 0.69 NOTUM (0.40)
SCHEMBL9918558 0.68 HTT (0.41)

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 EGFR 652/4885ERBB2 373/4885JAK2 1/4885

“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.