SCHEMBL20199384

SCHEMBL20199384

CCOC(=O)c1cc(Cl)nn2cc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 8/20 0.46
HPGD P15428 7/20 0.46
HSD17B10 Q99714 5/20 0.46
CASP1 P29466 3/20 0.46
TSHR P16473 1/20 0.46
CASP7 P55210 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPK1 P28482 1/20 0.43
CLK1 P49759 1/20 0.43
UBE2N P61088 1/20 0.43
F2RL3 Q96RI0 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
SCHEMBL20199403 0.86 KDM4E (0.54) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL21331461 0.82 KDM4E (0.50) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL20199621 0.80 DCTPP1 (0.54) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL30051141 0.80 DCTPP1 (0.54) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL25151263 0.78 KDM4E (0.45) MAPTKDM4EHPGDHSD17B10TSHR
SCHEMBL18003556 0.76 DHODH (0.52) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL14734326 0.76 ALDH1A1 (0.41) MAPTKDM4EHPGDHSD17B10TSHR
SCHEMBL20199459 0.76 MAPT (0.44) MAPTKDM4EHPGDHSD17B10KMT2A
SCHEMBL5089108 0.72 MAPT (0.51) MAPTKDM4ECASP1MEN1KMT2A
SCHEMBL4685138 0.72 FAAH (0.54) MAPTKDM4EHPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

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-20190276463-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP MAPT 81/4885KDM4E 2252/4885HPGD 2982/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP MAPT 81/4885KDM4E 2252/4885HPGD 2982/4885

“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.