SCHEMBL12341929

SCHEMBL12341929

O=C(Nc1nc2cccc(NC3CCCCC3)n2n1)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 5/20 0.49
▸ JAK2 O60674 3/20 0.46
▸ KCNH2 Q12809 2/20 0.45
▸ HDAC2 Q92769 6/20 0.45
▸ HDAC3 O15379 4/20 0.45
▸ HDAC1 Q13547 4/20 0.45
▸ MAP3K5 Q99683 1/20 0.45
▸ HPGDS O60760 1/20 0.44
▸ PRKD1 Q15139 2/20 0.42
▸ PRKD2 Q9BZL6 2/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ACKR3 P25106 1/20 0.41

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
SCHEMBL2788183 0.91 JAK1 (0.49) JAK1JAK2MAP3K5HPGDSHDAC10
SCHEMBL2789285 0.90 JAK1 (0.49) JAK1JAK2HDAC2HDAC3HDAC1
SCHEMBL2787611 0.90 JAK2 (0.57) JAK1JAK2MAP3K5HPGDS
SCHEMBL3020912 0.85 JAK1 (0.47) JAK1JAK2HDAC1MAP3K5ACKR3
SCHEMBL2787919 0.83 KDM4E (0.47) JAK1JAK2MAP3K5
SCHEMBL2789350 0.83 MAP3K5 (0.49) JAK1JAK2MAP3K5ACKR3
SCHEMBL2772557 0.83 MAP3K5 (0.51) JAK1JAK2MAP3K5ACKR3
SCHEMBL2787681 0.83 MAP3K5 (0.66) JAK1JAK2KCNH2HDAC2HDAC3
SCHEMBL2786688 0.82 JAK2 (0.50) JAK1JAK2KCNH2HDAC1
SCHEMBL3020907 0.81 MAP3K5 (0.49) JAK1JAK2MAP3K5HPGDSACKR3

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-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 JAK1 229/4885JAK2 228/4885KCNH2 376/4885

“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.

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