SCHEMBL29627018

SCHEMBL29627018

[2H]c1c(C)ccc2[nH]ncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.47
HSP90AA1 P07900 1/20 0.47
IDO1 P14902 1/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
ROCK2 O75116 5/20 0.46
NOS1 P29475 4/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ROCK1 Q13464 3/20 0.46
HPGD P15428 2/20 0.46
METAP2 P50579 1/20 0.46
CSNK2A1 P68400 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL12872 0.79 ROCK2 (0.59) CDK2HSP90AA1IDO1CTNNB1WNT3A
SCHEMBL29409358 0.79 ROCK2 (0.59) CDK2HSP90AA1IDO1CTNNB1WNT3A
Bromide SCHEMBL17924434 0.78 ROCK2 (0.57) CDK2HSP90AA1IDO1CTNNB1WNT3A
SCHEMBL29816258 0.76 NOS1 (0.66) CDK2HSP90AA1IDO1ROCK2NOS1
SCHEMBL16573980 0.73 GSK3B (0.71) CDK2CTNNB1WNT3AROCK2NOS1
SCHEMBL12354 0.71 KDM4E (0.59) CDK2HSP90AA1IDO1NOS1MAPT
SCHEMBL20060303 0.71 KDM4E (0.59) CDK2HSP90AA1IDO1NOS1MAPT
SCHEMBL27537145 0.68 GSK3B (0.64) ROCK2NOS1MAPTKDM4EALDH1A1
Indazole SCHEMBL27578122 0.68 HSP90AA1 (0.76) CDK2HSP90AA1IDO1CTNNB1WNT3A
Indazole SCHEMBL29741164 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260060961-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS JAZZ PHARMACEUTICALS IRELAND LTD (IE) 2026-03-05 US disclosed
WO-2025215188-A1 THERAPEUTIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PKMYT1 MY-T BIO LIMITED (GB) 2025-10-16 WO disclosed
WO-2023030385-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF 劲方医药科技(上海)有限公司 2023-03-09 WO disclosed
WO-2022194245-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-22 WO disclosed
WO-2022161489-A1 PENTAHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海艾力斯医药科技股份有限公司 2022-08-04 WO disclosed
WO-2022127847-A1 PYRIMIDONE DERIVATIVE AND APPLICATION THEREOF IN DRUG 广东东阳光药业有限公司 2022-06-23 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 (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-20260060961-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS KRAS, NRAS, HRAS CDK2 59/4885HSP90AA1 1830/4885IDO1 4151/4885

“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.