Sugi Predict

Sugi Predict / Compounds / SCHEMBL20199403

SCHEMBL20199403

SCHEMBL20199403

CCOC(=O)c1cc(Cl)nn2cc(-c3ccccc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.54
▸ HPGD P15428 5/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ GAA P10253 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ RXFP1 Q9HBX9 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL20199621 0.89 DCTPP1 (0.54) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL30051141 0.89 DCTPP1 (0.54) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL20199384 0.86 MAPT (0.46) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL20199459 0.84 MAPT (0.44) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL14734326 0.84 ALDH1A1 (0.41) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL20199405 0.83 DHODH (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25151263 0.82 KDM4E (0.45) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL20199337 0.81 ALDH1A1 (0.58) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL28380641 0.76 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL14881493 0.76 F2RL3 (0.49) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2

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 KDM4E 2252/4885HPGD 2982/4885HSD17B10 215/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP KDM4E 2252/4885HPGD 2982/4885HSD17B10 215/4885

“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.