SCHEMBL20522348

SCHEMBL20522348

COc1ccc(-c2cncnc2NCc2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 20/20 0.52
CYP3A4 P08684 20/20 0.52
CYP2D6 P10635 20/20 0.52
CYP2C19 P33261 20/20 0.52
CYP2C9 P11712 12/20 0.52
TSHR P16473 11/20 0.52
ALDH1A1 P00352 10/20 0.52
MAPK1 P28482 10/20 0.52
MAPT P10636 4/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CLK4 Q9HAZ1 13/20 0.52
LMNA P02545 10/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 8/20 0.49
ALOX15 P16050 5/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
TDP1 Q9NUW8 4/20 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
SCHEMBL29550399 1.00 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL29550822 0.84 NPC1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL20522311 0.84 NPC1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL20522302 0.84 SLC22A12 (0.42) MAPTCLK4KDM4E
SCHEMBL29550852 0.84 SLC22A12 (0.42) MAPTCLK4KDM4E
SCHEMBL20522378 0.82 QPCT (0.40) MAPTCLK4KDM4E
SCHEMBL29550661 0.82 QPCT (0.40) MAPTCLK4KDM4E
SCHEMBL20522363 0.80 MAPT (0.44) ALDH1A1MAPTHPGDSMN1; SMN2CLK4
SCHEMBL22712388 0.80 ACP1 (0.46) ALDH1A1MAPTLMNA
SCHEMBL29550590 0.80 ACP1 (0.46) ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110719910-B Novel inhibitors 维沃里翁治疗股份有限公司 2023-07-21 CN claimed
US-11339152-B2 Inhibitors VIVORYON THERAPEUTICS N.V. 2022-05-24 US claimed
US-20200377493-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2020-12-03 US claimed
EP-3601269-A1 NOVEL INHIBITORS Probiodrug AG (DE) 2020-02-05 EP claimed
WO-2018178384-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2018-10-04 WO claimed
US-20260001873-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2026-01-01 US disclosed
US-12384772-B2 Inhibitors VIVORYON THERAPEUTICS N.V. (DE) 2025-08-12 US disclosed
CN-117024352-A Novel inhibitors 维沃里翁治疗股份有限公司 2023-11-10 CN disclosed
CN-110719910-B Novel inhibitors 维沃里翁治疗股份有限公司 2023-07-21 CN disclosed
US-20220274977-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2022-09-01 US disclosed
US-11339152-B2 Inhibitors VIVORYON THERAPEUTICS N.V. 2022-05-24 US disclosed
US-11339152-B2 Inhibitors VIVORYON THERAPEUTICS N.V. 2022-05-24 US disclosed
US-20200377493-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2020-12-03 US disclosed
US-20200377493-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2020-12-03 US disclosed
EP-3601269-A1 NOVEL INHIBITORS Probiodrug AG (DE) 2020-02-05 EP disclosed
WO-2018178384-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2018-10-04 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 (5 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-20260001873-A1 NOVEL INHIBITORS GLS, GLS2, SULT1E1 CYP1A2 839/4885CYP3A4 632/4885CYP2D6 164/4885
US-20200377493-A1 NOVEL INHIBITORS GLUL, GLS, QPCT CYP1A2 723/4885CYP3A4 987/4885CYP2D6 347/4885
US-11339152-B2 Inhibitors GLUL, QPCT, GLS CYP1A2 714/4885CYP3A4 1145/4885CYP2D6 389/4885
US-12384772-B2 Inhibitors GLS, QPCT, GLS2 CYP1A2 744/4885CYP3A4 1109/4885CYP2D6 397/4885
US-20220274977-A1 NOVEL INHIBITORS GLUL, GLS, QPCT CYP1A2 733/4885CYP3A4 953/4885CYP2D6 358/4885

“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.