SCHEMBL6014997

SCHEMBL6014997

Cn1ccc(-c2cc[c]nc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
KEAP1 Q14145 1/20 0.47
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SCN4A P35499 1/20 0.40
CYP19A1 P11511 1/20 0.39
MAPT P10636 1/20 0.38
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
JMJD6 Q6NYC1 2/20 0.35
PARP1 P09874 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34

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
SCHEMBL745572 0.72
SCHEMBL2629295 0.72 KEAP1 (0.53) KMT2AKEAP1MKNK1MKNK2SCN4A
SCHEMBL18157906 0.70 KMT2A (0.64) KMT2AKEAP1MKNK1MKNK2SCN4A
SCHEMBL15885730 0.69 KMT2A (0.53) KMT2AKEAP1MKNK1MKNK2SCN4A
SCHEMBL25731569 0.68 KMT2A (0.57) KMT2AKEAP1MKNK1MKNK2SCN4A
SCHEMBL9384083 0.68 KMT2A (0.62) KMT2AKEAP1MKNK1MKNK2CYP19A1
SCHEMBL62501 0.68 KMT2A (0.62) KMT2AKEAP1MKNK1MKNK2SCN4A
SCHEMBL1155310 0.67 KMT2A (1.00) KMT2AKEAP1MKNK1MKNK2SCN4A
SCHEMBL26952025 0.67 KMT2A (0.55) KMT2AKEAP1MKNK1MKNK2SCN4A
SCHEMBL15885947 0.67 KEAP1 (0.52) KMT2AKEAP1MKNK1MKNK2SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US claimed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO 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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 KMT2A 3605/4885KEAP1 3152/4885MKNK1 2505/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 KMT2A 932/4885KEAP1 7/4885MKNK1 559/4885

“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.