SCHEMBL21473892

SCHEMBL21473892

Nc1cccc(Nc2nc(Cl)nc3[nH]cnc23)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.46
TNNI3K Q59H18 1/20 0.43
SYK P43405 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CAMK2D Q13557 1/20 0.41
AHR P35869 1/20 0.40
SIRT7 Q9NRC8 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39

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
SCHEMBL3001568 0.88 BRAF (0.53) BRAFTNNI3KSYKMEN1KMT2A
SCHEMBL2995190 0.85 BRAF (0.52) BRAFTNNI3KSYKCAMK2D
SCHEMBL2995233 0.85 BRAF (0.51) BRAFTNNI3K
SCHEMBL24862147 0.85 BRAF (0.40) BRAFTNNI3KLMNA
SCHEMBL3001378 0.84 NFKB1 (0.46) MEN1MAPTKMT2A
SCHEMBL5839451 0.82 SYK (0.47) SYKMAPT
SCHEMBL30719583 0.82 NPC1 (0.54) SYKLMNA
SCHEMBL5839044 0.82 BRAF (0.54) BRAFMAPT
SCHEMBL3004036 0.82 NPC1 (0.54) SYKLMNA
SCHEMBL7108109 0.81 TOP2A (0.55) KDM4EMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315747-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-17 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 (1 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-20190315747-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 BRAF 88/4885TNNI3K 183/4885SYK 1112/4885

“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.