SCHEMBL20214033

SCHEMBL20214033

COc1cc2c(cc1N)C(=O)N(C)CCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
S100B P04271 1/20 0.42
MAP4K1 Q92918 1/20 0.41
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
HTR1A P08908 1/20 0.40
BRD4 O60885 2/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2061017 0.94 MEN1 (0.64) MEN1KMT2ASMN1; SMN2GAAS100B
SCHEMBL24869723 0.91 MEN1 (0.77) MEN1KMT2ASMN1; SMN2GAAS100B
SCHEMBL30875685 0.91 MEN1 (0.77) MEN1KMT2ASMN1; SMN2GAAS100B
SCHEMBL14993330 0.82 MEN1 (0.54) MEN1KMT2ASMN1; SMN2GAAS100B
SCHEMBL29989787 0.82 MEN1 (0.54) MEN1KMT2ASMN1; SMN2GAAS100B
SCHEMBL20214438 0.79 KMT2A (0.58) MEN1KMT2ASMN1; SMN2GAAMAP4K1
SCHEMBL11923834 0.79 MEN1 (1.00) MEN1KMT2ASMN1; SMN2GAABRD4
SCHEMBL30883376 0.79 MEN1 (1.00) MEN1KMT2ASMN1; SMN2GAABRD4
SCHEMBL1027293 0.77 HSD17B1 (0.49) MEN1KMT2AGAAS100BPOLB
SCHEMBL18759922 0.76 KMT2A (0.40) MEN1KMT2ASMN1; SMN2BRD4LMNA

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-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2021-11-23 US disclosed
EP-3548479-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD Pharmaceuticals, Inc. (US) 2019-10-09 EP disclosed
WO-2018102366-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2018-06-07 WO disclosed
WO-2018102366-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2018-06-07 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 (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-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors STK16, STK4, STK26 MEN1 1536/4885KMT2A 842/4885SMN1; SMN2 2777/4885

“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.