SCHEMBL9970945

SCHEMBL9970945

Cc1cc(Nc2cc(NC(=O)CC3CCCC3)ccc2C)n(-c2cc(Nc3ccc(CN4CCOCC4)cn3)ncn2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
MAPK14 Q16539 5/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
EPHX2 P34913 1/20 0.38
ADORA2A P29274 1/20 0.38
POLB P06746 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
BRAF P15056 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
JAK3 P52333 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL3588778 0.85 MAPK14 (0.41) FLT3MAPK14ADORA2APOLBCNR1
SCHEMBL9967438 0.85 FLT3 (0.44) FLT3MAPK14IRAK4BRAF
SCHEMBL3596858 0.84 MAPK14 (0.45) FLT3MAPK14BRAF
SCHEMBL3584346 0.83 AURKA (0.42) MAPK14ADORA2ABRAFIKBKETBK1
SCHEMBL3584350 0.82 LCK (0.41) ADORA2ACNR2IKBKETBK1
SCHEMBL3587592 0.81 BRAF (0.46) MAPK14BRAFSMN1; SMN2
SCHEMBL3587792 0.74 CSF1R (0.51) MAPK14BRAF
SCHEMBL3595572 0.73 MAPK14 (0.47) MAPK14BRAF
SCHEMBL3585106 0.70 BRAF (0.55) MAPK14BRAF
SCHEMBL3586792 0.70 MAPK14 (0.53) MAPK14BRAFTSHR

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-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK FLT3 18/4885MAPK14 337/4885IRAK4 492/4885

“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.