SCHEMBL18493472

SCHEMBL18493472

C[CH]N(C)c1ncnc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 12/20 0.56
▸ JAK3 P52333 11/20 0.56
▸ JAK2 O60674 6/20 0.55
▸ CSF1R P07333 1/20 0.55
▸ TYK2 P29597 3/20 0.47
▸ TNNI3K Q59H18 1/20 0.45

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
SCHEMBL15086982 0.82 JAK3 (0.62) JAK1JAK3JAK2CSF1RTYK2
SCHEMBL20343713 0.79 JAK1 (0.59) JAK1JAK3JAK2CSF1RTYK2
SCHEMBL18493479 0.79 JAK3 (0.59) JAK1JAK3JAK2CSF1RTYK2
SCHEMBL26500579 0.77 CSF1R (0.67) JAK1JAK3JAK2CSF1RTYK2
SCHEMBL22061391 0.75 CSF1R (0.65) JAK1JAK3JAK2CSF1RTYK2
SCHEMBL14342248 0.75 JAK3 (0.54) JAK1JAK3JAK2CSF1RTYK2
SCHEMBL3534102 0.73 JAK3 (0.97) JAK1JAK3JAK2TYK2
SCHEMBL13007800 0.73 JAK1 (0.53) JAK1JAK3JAK2CSF1RTYK2
SCHEMBL20597179 0.73 TNNI3K (0.54) JAK1JAK3JAK2CSF1RTYK2
SCHEMBL29518010 0.73 TNNI3K (0.54) JAK1JAK3JAK2CSF1RTYK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JIANGSU HENGRUI MEDICINE CO (CN) 2017-02-16 — — 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-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JAK2, JAK1, JAK3 JAK1 2/4885JAK3 3/4885JAK2 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.

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