SCHEMBL20950907

SCHEMBL20950907

Nc1ncc2ccc(-c3cncs3)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEK Q02763 7/20 0.43
DYRK1A Q13627 4/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
CLK1 P49759 1/20 0.43
EPHB4 P54760 2/20 0.41
CD38 P28907 7/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
KDR P35968 2/20 0.40
GSK3B P49841 3/20 0.39
WNT1 P04628 2/20 0.39
CLK2 P49760 1/20 0.39
LCK P06239 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL31522673 0.82 BACE1 (0.46) DYRK1ACD38CHEK1CHEK2
SCHEMBL26260195 0.75 DYRK1A (0.49) DYRK1ACD38GSK3BWNT1CLK2
SCHEMBL28084462 0.75 DHFR (0.54) TEKDYRK1ACSNK1DCSNK1ECLK1
SCHEMBL30463604 0.74 CHEK1 (0.45) DYRK1ACD38CHEK1CHEK2
SCHEMBL26260216 0.74 DYRK1A (0.47) DYRK1ACD38GSK3BWNT1CLK2
SCHEMBL29515770 0.73 DHFR (0.56) TEKEPHB4KDRLCKJAK3
SCHEMBL20947011 0.72 DYRK1A (0.46) DYRK1ACD38GSK3BWNT1CLK2
SCHEMBL25052261 0.71 CLK1 (0.47) TEKDYRK1ACSNK1DCSNK1ECLK1
SCHEMBL4020749 0.70 PIK3CD (0.50) DYRK1ACD38CHEK1CHEK2
SCHEMBL24150165 0.70 HTT (0.58) TEKDYRK1ACSNK1DCSNK1ECLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703748-B2 Diazanaphthalen-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-07-07 US disclosed
US-10703748-B2 Diazanaphthalen-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-07-07 US disclosed
US-20190127370-A1 DIAZANAPHTHALEN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2019-05-02 US disclosed
US-20190127370-A1 DIAZANAPHTHALEN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2019-05-02 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-20190127370-A1 DIAZANAPHTHALEN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DKK1, WNT1 TEK 73/4885DYRK1A 1/4885CSNK1D 244/4885
US-10703748-B2 Diazanaphthalen-3-yl carboxamides and preparation and use thereof DYRK1A, DKK1, WNT1 TEK 73/4885DYRK1A 1/4885CSNK1D 244/4885

“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.