SCHEMBL21999413

SCHEMBL21999413

Nc1ncc(Cl)nc1C1CNC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.38
CHRNB2 P17787 5/20 0.36
CHRNA4 P43681 5/20 0.36
PTPN11 Q06124 2/20 0.33
GRM5 P41594 1/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
Hydrochloric Acid SCHEMBL21931904 0.98 MAPKAPK2 (0.37) MAPKAPK2CHRNB2CHRNA4PTPN11GRM5
SCHEMBL31416583 0.83 MAPKAPK2 (0.40) MAPKAPK2CHRNB2GRM5CHRNA3
SCHEMBL21931902 0.72 PIM1 (0.36) MAPKAPK2GRM5
SCHEMBL7705836 0.71 CHRNB4 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3HRH3
SCHEMBL29912977 0.69
SCHEMBL913739 0.69
SCHEMBL31274085 0.68 MAPKAPK2 (0.37) MAPKAPK2CHRNB2GRM5CHRNA3
SCHEMBL1560727 0.67
SCHEMBL30743728 0.67
SCHEMBL24818332 0.67 MAPKAPK2 (0.33) MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161838-B2 Heterocyclic derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2021-11-02 US disclosed
WO-2020102150-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2020-05-22 WO disclosed
US-20200148671-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2020-05-14 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 (2 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-11161838-B2 Heterocyclic derivatives as PI3K inhibitors PIK3CD, PIK3R5, PIK3CG MAPKAPK2 164/4885CHRNB2 3767/4885CHRNA4 4271/4885
US-20200148671-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS PIK3CD, PIK3R5, PIK3CG MAPKAPK2 164/4885CHRNB2 3767/4885CHRNA4 4271/4885

“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.