SCHEMBL4951817

SCHEMBL4951817

NN1Cc2c(C3CCCN(C(=O)O)C3)cc(-c3ccccc3OCc3ccccc3)nc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
IKBKB O14920 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
USP30 Q70CQ3 1/20 0.36
PROKR1 Q8TCW9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KDM2B Q8NHM5 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
SCHEMBL4944840 0.79 IKBKB (0.40) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL5256948 0.79 BTK (0.42) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL4940878 0.79 SMYD2 (0.43) JAK2JAK1TYK2JAK3MEN1
SCHEMBL7025678 0.75 IKBKB (0.55) IKBKBSMN1; SMN2USP30PROKR1
SCHEMBL14028509 0.74 PRMT5 (0.45) JAK2JAK1IKBKBUSP30ALDH1A1
SCHEMBL14046479 0.73 PRMT5 (0.48) USP30ALDH1A1HPGDPRMT5
SCHEMBL4944836 0.71 PRMT5 (0.47) USP30ALDH1A1HPGDPRMT5
SCHEMBL4946466 0.71 PRMT5 (0.47) USP30ALDH1A1HPGDPRMT5
SCHEMBL4940870 0.71 PRMT5 (0.47) USP30ALDH1A1HPGDPRMT5
SCHEMBL4943046 0.71 PRMT5 (0.47) USP30ALDH1A1HPGDPRMT5

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-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-20060205676-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-14 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-20060205676-A1 Pyridine derivatives CBR3, ARG1, HRH3 JAK2 454/4885JAK1 505/4885TYK2 981/4885

“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.