SCHEMBL21152485

SCHEMBL21152485

O=C1NCc2c1sc1ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 5/20 0.48
MAP3K11 Q16584 5/20 0.48
NTRK1 P04629 1/20 0.48
MAP3K10 Q02779 1/20 0.48
GPR3 P46089 1/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
GLI1 P08151 1/20 0.41
GLI2 P10070 1/20 0.41
CDK4 P11802 1/20 0.41
PRKCA P17252 1/20 0.41
CTRB1 P17538 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
CCND1 P24385 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCI P41743 1/20 0.41
JAK3 P52333 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
SCHEMBL1393376 0.84 CDK1 (0.50) GPR3PRKD3PRKD1CDK1MAPKAPK2
SCHEMBL5381430 0.77 TDP2 (0.40) MAP3K9MAP3K11NTRK1MAP3K10GPR3
SCHEMBL6652104 0.75 CDK1 (0.58) NTRK1GPR3PRKD3PRKACAPRKCQ
SCHEMBL1393409 0.72 GPR3 (0.43) GPR3ALDH1A1ALOX15MAPTTDP1
Hydrochloric Acid SCHEMBL5240304 0.71 MAP3K9 (0.49) MAP3K9MAP3K11NTRK1MAP3K10GPR3
SCHEMBL12013258 0.71 GPR3 (0.52) GPR3PNMTALDH1A1ALOX15MAPT
SCHEMBL6650273 0.70 PRKD1 (0.38) GPR3PRKD3PRKD1CDK1MAPKAPK2
SCHEMBL5387156 0.69 CDK4 (0.49) MAP3K9MAP3K11GPR3PRKD3PRKCG
SCHEMBL23878721 0.69 HSD17B10 (0.45) GPR3CDK1MAPKAPK2ALDH1A1ALOX15
SCHEMBL12228812 0.68 GPR3 (0.43) MAP3K9MAP3K11GPR3PNMTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3735404-B1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF SEAL ROCK THERAPEUTICS INC (US) 2023-11-29 EP disclosed
US-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. 2021-07-15 US disclosed
WO-2020046975-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. (US) 2020-03-05 WO disclosed
WO-2019136025-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. (US) 2019-07-11 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-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES SNCA, MAPT, HTT MAP3K9 166/4885MAP3K11 135/4885NTRK1 882/4885

“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.