SCHEMBL21672032

SCHEMBL21672032

CC(=O)Nc1ccc(-c2ccncc2)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 2/20 0.50
MAPK14 Q16539 1/20 0.50
ABL1 P00519 1/20 0.43
CASP1 P29466 2/20 0.43
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRNP P04156 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ROCK2 O75116 2/20 0.41
PRKCA P17252 1/20 0.41
GRK2 P25098 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL29393738 1.00 MAP2K3 (0.50) MAP2K3MAPK14ABL1CASP1KDM4E
SCHEMBL21672316 0.83 POLB (0.42) ABL1KDM4EGAAPOLBMEN1
SCHEMBL21672033 0.81 KCNH2 (0.47) ABL1KDM4EGAAPOLBMEN1
SCHEMBL5100980 0.75 KDM4E (0.46) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL6998722 0.74 ADORA2B (0.43) KDM4EPOLBMEN1KMT2AADORA2A
SCHEMBL6995006 0.74 NPC1 (0.51) ABL1KDM4EPOLBKMT2AALDH1A1
SCHEMBL21672291 0.74 IRAK4 (0.53) CYP3A4ROCK2IRAK4
SCHEMBL9649989 0.72 KDM4E (0.44) KDM4EPOLBALDH1A1HPGDROCK2
SCHEMBL20449079 0.72 RXFP1 (0.45) KDM4EPOLBALDH1A1HPGDMAPT
SCHEMBL21672296 0.72 SYK (0.45) ABL1KDM4EGAAPOLBMEN1

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
CN-113164476-A Small molecule inhibitor of DYRK1/CLK and application thereof 代表亚利桑那大学的亚利桑那校董会 2021-07-23 CN disclosed
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 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-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 MAP2K3 214/4885MAPK14 939/4885ABL1 1163/4885

“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.