SCHEMBL545623

SCHEMBL545623

CC(=O)NC(C)(C)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK1D Q8IU85 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 1/20 0.40
CES2 O00748 1/20 0.40
IKBKE Q14164 1/20 0.38
GAA P10253 1/20 0.37
P2RX1 P51575 1/20 0.37
CFTR P13569 1/20 0.36
PTPN5 P54829 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ACACB O00763 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL4783457 0.87 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL23113501 0.86 CAMK1D (0.39) CAMK1DHDAC3HDAC6MAPTGAA
SCHEMBL3003620 0.82 CES2 (0.47) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL5475672 0.81 RAF1 (0.39) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL1851604 0.77 PDE2A (0.48) HDAC3HDAC1HDAC2HDAC6CES2
SCHEMBL14493273 0.77 TSHR (0.41) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL16904552 0.75 MAPT (0.53) MAPTIKBKEP2RX1PTPN5ALDH1A1
SCHEMBL130383 0.73 TSHR (0.56) MAPTCES2GAAPTPN5ALDH1A1
SCHEMBL2815438 0.73 ACACB (0.48) MAPTALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL23113552 0.72 POLB (0.39) HDAC3HDAC6MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 EP disclosed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 CN disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 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 (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-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 CAMK1D 5/4885HDAC3 860/4885HDAC1 1101/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 CAMK1D 291/4885HDAC3 802/4885HDAC1 599/4885

“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.