SCHEMBL20189888

SCHEMBL20189888

Nc1cnccc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.51
TDO2 P48775 1/20 0.47
MAPK14 Q16539 8/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
GCGR P47871 3/20 0.44
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL29939282 1.00 RPS6KA3 (0.51) RPS6KA3TDO2MAPK14MAPK13MAPK12
Ammonia Solution, Strong SCHEMBL16036667 0.98 RPS6KA3 (0.50) RPS6KA3TDO2MAPK14MAPK13MAPK12
SCHEMBL29477093 0.83 CYP2D6 (0.46) RPS6KA3ALDH1A1CYP1A2KDM4EGAA
SCHEMBL15770240 0.83 CYP2D6 (0.46) RPS6KA3ALDH1A1CYP1A2KDM4EGAA
SCHEMBL21647182 0.80 RPS6KA3 (0.68) RPS6KA3ALDH1A1CYP17A1KDM4ESLC22A12
SCHEMBL3164390 0.80 TDO2 (0.47) RPS6KA3TDO2MAPK14GCGRALDH1A1
SCHEMBL4948169 0.80 DGAT1 (0.42) RPS6KA3ALDH1A1KDM4EGAASLC22A12
SCHEMBL29299464 0.79 KIF11 (0.57) TDO2SLC22A12
SCHEMBL24038370 0.79 RPS6KA3 (0.59) RPS6KA3MAPK14MAPK13MAPK12MAPK11
SCHEMBL3791281 0.79 ALDH1A1 (0.54) RPS6KA3TDO2ALDH1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110545817-B GSK-3 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed
CN-110225912-B GSK-3 inhibitors 百时美施贵宝公司 2022-10-21 CN disclosed
EP-3544980-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3544980-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
US-10774086-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-15 US disclosed
US-10774086-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-15 US disclosed
US-10752609-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-25 US disclosed
US-10752609-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-25 US disclosed
US-20190315714-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-20190315714-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
EP-3544980-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
EP-3544613-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
US-20190276463-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-12 US disclosed
US-20190276463-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-12 US disclosed
WO-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
WO-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 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-20190315714-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP RPS6KA3 81/4885TDO2 3505/4885MAPK14 1128/4885
US-20190276463-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP RPS6KA3 85/4885TDO2 2958/4885MAPK14 656/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP RPS6KA3 85/4885TDO2 2958/4885MAPK14 656/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP RPS6KA3 81/4885TDO2 3505/4885MAPK14 1128/4885

“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.