SCHEMBL29728043

SCHEMBL29728043

Cn1ncc2c(Nc3ccccc3C(N)=O)nc(-c3cccnc3)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.56
CDC7 O00311 3/20 0.54
ROCK2 O75116 3/20 0.54
PRKD3 O94806 3/20 0.54
PAK4 O96013 3/20 0.54
PIM1 P11309 3/20 0.54
PRKACA P17612 3/20 0.54
CDK2 P24941 3/20 0.54
SYK P43405 3/20 0.54
CLK2 P49760 3/20 0.54
GSK3A P49840 3/20 0.54
GSK3B P49841 3/20 0.54
CDK7 P50613 3/20 0.54
CDK9 P50750 3/20 0.54
MAP4K2 Q12851 3/20 0.54
STK3 Q13188 3/20 0.54
CAMK2D Q13557 3/20 0.54
DYRK1A Q13627 3/20 0.54
MELK Q14680 3/20 0.54
PKN2 Q16513 3/20 0.54

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
SCHEMBL14475789 0.86 SIRT2 (0.45) PIK3CACDC7ROCK2PRKD3PAK4
SCHEMBL20439526 0.85 MAPK14 (0.68) PIK3CACDC7ROCK2PRKD3PAK4
SCHEMBL14726035 0.82 CYP1A2 (0.63) LMNACLK4KDM1AMAPK1HSD17B10
SCHEMBL3180748 0.82 PIK3CA (0.49) PIK3CACDC7ROCK2PRKD3PAK4
SCHEMBL14474395 0.80 ADORA3 (0.52) PIM1LMNACLK4LATS1MAPK1
SCHEMBL14475137 0.80 PTK2 (0.48) PIM1LMNAALKMAPK9MAPK10
SCHEMBL3180481 0.79 PIK3CA (0.52) PIK3CACDC7ROCK2PRKD3PAK4
SCHEMBL14727142 0.79 PDE5A (0.58) LMNACLK4MAPK1HSD17B10KMT2A
SCHEMBL14474866 0.79 MAPT (0.54) LMNACLK4MAPK1HSD17B10KMT2A
SCHEMBL14475510 0.79 MCL1 (0.51) CDC7ROCK2PRKD3PAK4PIM1

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-12486270-B2 Receptor tyrosine kinase inhibitors for treatment of protein kinase modulation-responsive disease or disorder THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-12-02 US disclosed
US-20220194943-A1 RECEPTOR TYROSINE KINASE INHIBITORS FOR TREATMENT OF PROTEIN KINASE MODULATION-RESPONSIVE DISEASE OR DISORDER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2022-06-23 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-12486270-B2 Receptor tyrosine kinase inhibitors for treatment of protein kinase modulation-responsive disease or disorder EPHA1, EPHB2, EPHB1 PIK3CA 912/4885CDC7 299/4885ROCK2 252/4885
US-20220194943-A1 RECEPTOR TYROSINE KINASE INHIBITORS FOR TREATMENT OF PROTEIN KINASE MODULATION-RESPONSIVE DISEASE OR DISORDER EPHA1, EPHB2, EPHB1 PIK3CA 912/4885CDC7 299/4885ROCK2 252/4885

“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.