SCHEMBL25711010

SCHEMBL25711010

CC(C)(N)c1ccnc2sc3ccccc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.38
▸ ELANE P08246 1/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ LIMK1 P53667 3/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ MIF P14174 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ADK P55263 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL18177882 0.89 GPR3 (0.41) ROCK1ELANEGPR3LIMK1CDK5
SCHEMBL19267562 0.77 LIMK1 (0.43) ROCK1ELANEGPR3LIMK1CDK5
SCHEMBL23057024 0.76 GPR3 (0.48) GPR3LIMK1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL17265873 0.73 GPR3 (0.40) ROCK1ELANEGPR3LIMK1CDK5
SCHEMBL24057409 0.73 AURKA (0.41) ROCK1ELANEGPR3LIMK1CDK5
SCHEMBL21164751 0.70 MRGPRX1 (0.37) ELANEGPR3LIMK1CDK5CDK5R1
SCHEMBL16252851 0.69 NCF1 (0.52) ALDH1A1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL25751934 0.69 GPR3 (0.35) ROCK1ELANEGPR3LIMK1CDK5
SCHEMBL924654 0.67 LIMK1 (0.56) ROCK1GPR3LIMK1CDK5CDK5R1
SCHEMBL17109971 0.67 LIMK1 (0.40) ROCK1ELANEGPR3LIMK1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 — — US disclosed
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 — — US 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-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SLC43A1, SLC7A5, L1CAM ROCK1 4164/4885ELANE 58/4885GPR3 3871/4885
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SLC43A1, SLC7A5, L1CAM ROCK1 4164/4885ELANE 58/4885GPR3 3871/4885

“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.

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