SCHEMBL3514282

SCHEMBL3514282

NC(=O)c1ccc(-c2cnc3ccc(Cl)nn23)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.66
DYRK1A Q13627 7/20 0.60
DYRK2 Q92630 7/20 0.60
GRK5 P34947 2/20 0.60
PIK3CA P42336 1/20 0.58
ATR Q13535 1/20 0.58
CDK5 Q00535 6/20 0.56
CDK5R1 Q15078 6/20 0.56
DYRK1B Q9Y463 6/20 0.56
DYRK3 O43781 5/20 0.56
CCNA2 P20248 5/20 0.56
CDK2 P24941 5/20 0.56
CCNT1 O60563 4/20 0.56
CDK9 P50750 4/20 0.56
MAP4K4 O95819 1/20 0.51

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
SCHEMBL2236203 0.87 DYRK1A (0.62) FYNDYRK1ADYRK2GRK5CDK5
SCHEMBL3517595 0.84 FYN (0.90) FYNGRK5PIK3CAATR
SCHEMBL2239646 0.82 DYRK1A (0.56) FYNDYRK1ADYRK2PIK3CAATR
SCHEMBL15288602 0.82 DYRK1A (0.70) FYNDYRK1ADYRK2CDK5CDK5R1
SCHEMBL2948779 0.80 DYRK1A (0.68) FYNDYRK1ADYRK2CDK5CDK5R1
SCHEMBL16331572 0.80 FYN (1.00) FYNGRK5PIK3CAATR
SCHEMBL28404217 0.79 DYRK1A (0.68) FYNDYRK1ADYRK2CDK5CDK5R1
SCHEMBL102796 0.79 DYRK1A (0.71) FYNDYRK1ADYRK2PIK3CACDK5
SCHEMBL102252 0.79 DYRK1A (0.72) FYNDYRK1ADYRK2CDK5CDK5R1
SCHEMBL21672006 0.78 DYRK1A (0.71) FYNDYRK1ADYRK2PIK3CACDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221817-A1 NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES Nivien Therapeutics Compny (US) 2021-07-22 US disclosed
US-20210221817-A1 NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES Nivien Therapeutics Compny (US) 2021-07-22 US disclosed
WO-2020047037-A1 NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES NIVIEN THERAPEUTICS COMPANY (US) 2020-03-05 WO disclosed
WO-2020047037-A1 NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES NIVIEN THERAPEUTICS COMPANY (US) 2020-03-05 WO disclosed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20210221817-A1 NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES LATS1, LATS2, YAP1 FYN 97/4885DYRK1A 239/4885DYRK2 209/4885
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A FYN 425/4885DYRK1A 2632/4885DYRK2 2544/4885

“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.