SCHEMBL17984632

SCHEMBL17984632

N=C(N)c1ccncc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
SIRT3 Q9NTG7 2/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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 SCHEMBL23850379 0.98 GAA (0.47) GAAMKNK1MKNK2ALDH1A1TDP1
SCHEMBL9259816 0.83 ROCK2 (0.47) GAAMKNK1MKNK2ALDH1A1TDP1
SCHEMBL826357 0.79 MKNK1 (0.58) GAAMKNK1MKNK2ALDH1A1TDP1
Hydrochloric Acid SCHEMBL28637331 0.78 MKNK1 (0.57) GAAMKNK1MKNK2ALDH1A1TDP1
SCHEMBL1402190 0.77 KDM4E (0.39) GAAMKNK1MKNK2ALDH1A1TDP1
SCHEMBL8128501 0.77 KDM4E (0.59) GAAMKNK1MKNK2ALDH1A1TDP1
SCHEMBL30422058 0.76 GAA (0.45) GAAMKNK1MKNK2ALDH1A1TDP1
SCHEMBL30745583 0.76 GAA (0.45) GAAMKNK1MKNK2ALDH1A1TDP1
Hydrochloric Acid SCHEMBL7960128 0.75 KDM4E (0.57) GAAMKNK1MKNK2ALDH1A1TDP1
SCHEMBL16897000 0.75 CCNC (0.43) GAAMKNK1MKNK2ALDH1A1TDP1

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-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS NEW YORK UNIVERSITY 2022-01-13 US disclosed
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 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-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS GLI1, GLI2, SHH GAA 740/4885MKNK1 1369/4885MKNK2 1158/4885
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE REN, GLS, FIBP GAA 1210/4885MKNK1 1473/4885MKNK2 1365/4885

“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.