SCHEMBL14867652

SCHEMBL14867652

CC(C)(C)NCc1ccc2cn[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.50
IGF1R P08069 2/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
APAF1 O14727 1/20 0.48
METAP2 P50579 2/20 0.45
DYRK1A Q13627 3/20 0.45
NOS1 P29475 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL269208 0.88 MAPK1 (0.55) MAPTALDH1A1KDM4EMETAP2DYRK1A
SCHEMBL7428149 0.82 INSR (0.54) INSRIGF1RMAPTALDH1A1KDM4E
SCHEMBL19840377 0.79 MAPT (0.53) INSRIGF1RMAPTALDH1A1KDM4E
SCHEMBL10210529 0.79 INSR (0.54) INSRIGF1RMAPTALDH1A1KDM4E
SCHEMBL91332 0.76 MAPT (0.60) INSRIGF1RMAPTALDH1A1KDM4E
SCHEMBL7874956 0.76 INSR (0.51) INSRIGF1RMAPTALDH1A1KDM4E
SCHEMBL8669605 0.76 NOS1 (0.57) INSRIGF1RMAPTALDH1A1KDM4E
SCHEMBL10210032 0.76 ROCK2 (0.52) INSRIGF1RMAPTALDH1A1DYRK1A
SCHEMBL18078939 0.74 MAPK1 (0.60) INSRIGF1RMAPTALDH1A1KDM4E
SCHEMBL9228890 0.73 MAPT (0.50) INSRIGF1RMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530194-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2022-12-20 US disclosed
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-07-15 US disclosed
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives BUR DANIEL (CH) 2013-04-18 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 (3 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-20130096119-A1 Isoquinolin-3-Ylurea Derivatives CLIC1, IRF3, KCNH3 INSR 188/4885IGF1R 986/4885MAPT 4839/4885
US-11530194-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 INSR 406/4885IGF1R 135/4885MAPT 2634/4885
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 INSR 406/4885IGF1R 135/4885MAPT 2634/4885

“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.