SCHEMBL3748124

SCHEMBL3748124

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(C4CC[N+]5(CC4)OCCO5)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.60
JAK3 P52333 2/20 0.60
HDAC6 Q9UBN7 6/20 0.51
HDAC1 Q13547 5/20 0.51
IKBKB O14920 2/20 0.50
CHUK O15111 1/20 0.50
PLK1 P53350 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
PRNP P04156 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4380076 0.85 JAK2 (0.68) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4380256 0.83 JAK2 (0.65) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4378143 0.80 JAK2 (0.90) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL13588599 0.76 JAK2 (0.81) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4383820 0.76 JAK2 (1.00) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL8084292 0.75 JAK2 (0.67) JAK2JAK3HDAC6HDAC1PLK1
SCHEMBL4388808 0.75 JAK2 (0.79) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4376505 0.75 JAK2 (0.79) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL7470447 0.74 JAK2 (0.79) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4390308 0.74 JAK2 (1.00) JAK2JAK3HDAC6HDAC1IKBKB

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-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 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-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 JAK2 150/4885JAK3 218/4885HDAC6 1180/4885

“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.