SCHEMBL1725003

SCHEMBL1725003

Nc1ccc(N2CCN(CCF)CC2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 6/20 0.59
GFER P55789 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
RAD52 P43351 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA1B P35368 3/20 0.42
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
HTR1A P08908 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.39
ADORA2A P29274 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
THRB P10828 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
Hydrochloric Acid SCHEMBL1726121 0.98 ALDH1A1 (0.57) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL3027517 0.86 MAPT (0.57) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL17265648 0.85 ALDH1A1 (0.77) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL159281 0.83 MAPT (0.68) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL16391106 0.82 MAPT (0.54) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL1641810 0.81 MAPT (0.52) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL29520597 0.80 ALDH1A1 (0.66) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL159044 0.80 ALDH1A1 (0.66) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL157877 0.79 MAPT (0.56) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL1127846 0.79 MAPT (0.56) ALDH1A1MAPTGFERTDP1LMNA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486865-A Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2024-02-02 CN disclosed
CN-112592334-B Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2023-10-27 CN disclosed
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 US disclosed
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 US disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 EP disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 EP disclosed
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2018-09-06 US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-12-29 US disclosed
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-12-29 US disclosed
US-20110190280-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-08-04 US disclosed
US-20110190280-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-08-04 US disclosed
US-20110190280-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-08-04 US disclosed
WO-2010104899-A1 THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-09-16 WO disclosed
WO-2010104899-A1 THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-09-16 WO disclosed
EP-2197876-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS Glaxosmithkline LLC (US) 2010-06-23 EP disclosed
WO-2009032667-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032667-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 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 (4 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-20110190280-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 ALDH1A1 3014/4885MAPT 1402/4885GFER 4646/4885
US-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK ALDH1A1 4165/4885MAPT 2803/4885GFER 2806/4885
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors STK24, MAP3K5, MAP3K2 ALDH1A1 2613/4885MAPT 2542/4885GFER 2374/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK ALDH1A1 4165/4885MAPT 2803/4885GFER 2806/4885

“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.