SCHEMBL12102775

SCHEMBL12102775

COC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.52
CYP3A4 P08684 3/20 0.49
CYP2C8 P10632 3/20 0.49
CYP2C9 P11712 3/20 0.49
JAK1 P23458 3/20 0.49
TYK2 P29597 3/20 0.49
CYP2C19 P33261 3/20 0.49
JAK3 P52333 3/20 0.49
ADORA3 P0DMS8 2/20 0.49
CYP1A2 P05177 1/20 0.49
HDAC1 Q13547 1/20 0.45
NTRK1 P04629 1/20 0.44

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
SCHEMBL1299147 0.90 JAK2 (0.51) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL12102727 0.89 JAK2 (0.49) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL3265360 0.89 JAK2 (0.49) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL13521286 0.88 JAK2 (0.50) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1298782 0.88 JAK2 (0.52) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL13521304 0.88 JAK2 (0.50) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1299128 0.88 JAK2 (0.49) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1299226 0.88 JAK2 (0.51) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL12105318 0.88 JAK2 (0.48) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL12102307 0.87 JAK2 (0.54) JAK2CYP3A4CYP2C8CYP2C9JAK1

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
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 JAK2 1/4885CYP3A4 3372/4885CYP2C8 2607/4885

“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.