SCHEMBL29610028

SCHEMBL29610028

Cc1cnc(Nc2cccc(C(C)N3CCCC3)c2)nc1Nc1ccc2oc(=O)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.67
JAK3 P52333 20/20 0.67
SYK P43405 1/20 0.63
JAK2 O60674 10/20 0.61
CYP3A4 P08684 7/20 0.61
CYP1A2 P05177 2/20 0.57
TYK2 P29597 1/20 0.56

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
SCHEMBL341262 1.00 JAK1 (0.67) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL341183 0.99 JAK1 (0.66) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL29609597 0.99 JAK1 (0.66) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL29609921 0.98 JAK1 (0.67) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL339746 0.98 JAK1 (0.67) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL340721 0.94 JAK1 (0.68) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL29609978 0.94 JAK1 (0.68) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL340443 0.93 JAK1 (0.65) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL29609617 0.93 JAK1 (0.65) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL339961 0.91 JAK1 (0.65) JAK1JAK3SYKJAK2CYP3A4

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-20220249475-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS, INC. (US) 2022-08-11 US disclosed
EP-4009974-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME Rigel Pharmaceuticals, Inc. (US) 2022-06-15 EP 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-20220249475-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME IRAK1, IRAK3, IRAK2 JAK1 7/4885JAK3 12/4885SYK 93/4885

“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.