SCHEMBL17310201

SCHEMBL17310201

COc1cc(N2CCN(C(=O)O)CC2)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
ALK Q9UM73 1/20 0.47
CCR1 P32246 3/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TYR P14679 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 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
SCHEMBL2876131 0.84 CCR1 (0.53) CCR1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3631830 0.83 CCR1 (0.60) SMN1; SMN2HTTCCR1MAPT
SCHEMBL11294977 0.83 CCR1 (0.46) SMN1; SMN2LMNAHTTCCR1MAPT
SCHEMBL2386587 0.83 SUV39H2 (0.55) SMN1; SMN2LMNAALKMAPTALDH1A1
SCHEMBL30726275 0.83 SUV39H2 (0.55) SMN1; SMN2LMNAALKMAPTALDH1A1
SCHEMBL19212232 0.81 TMEM97 (0.57) SMN1; SMN2LMNAHTTNPC1MEN1
SCHEMBL18300991 0.81 MAPT (0.52) SMN1; SMN2LMNAMAPTL3MBTL1NPC1
SCHEMBL2384047 0.80 SIRT6 (0.58) SMN1; SMN2HTTMAPTNPC1MEN1
SCHEMBL5528296 0.80 MAPK1 (0.49) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL23705839 0.80 ALDH1A1 (0.55) SMN1; SMN2LMNAMAPTMEN1KMT2A

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
EP-2952510-B1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2018-12-26 EP disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 US disclosed
EP-2952510-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2015-12-09 EP 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-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR PACSIN2, MAPKAPK2, PRKCA SMN1; SMN2 2487/4885LMNA 2093/4885HTT 3440/4885

“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.