SCHEMBL18177882

SCHEMBL18177882

CC(C)(C)c1ccnc2sc3ccccc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.41
▸ ELANE P08246 1/20 0.36
▸ ROCK1 Q13464 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ PTPN7 P35236 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN12 Q05209 1/20 0.32
▸ PTPN22 Q9Y2R2 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ LIMK1 P53667 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ TNKS O95271 2/20 0.31
▸ TNKS2 Q9H2K2 2/20 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
SCHEMBL25711010 0.89 ROCK1 (0.38) GPR3ELANEROCK1MAPTDUSP3
SCHEMBL17265873 0.78 GPR3 (0.40) GPR3ELANEROCK1MAPTMIF
SCHEMBL19267562 0.78 LIMK1 (0.43) GPR3ELANEROCK1MAPTALDH1A1
SCHEMBL2388003 0.75 GPR3 (0.56) GPR3MAPTPTPN7DUSP3PTPN12
SCHEMBL24057409 0.75 AURKA (0.41) GPR3ELANEROCK1MAPTMIF
SCHEMBL16282364 0.74 LIMK1 (0.47) GPR3ROCK1MAPTALDH1A1RAB9A
SCHEMBL21164751 0.74 MRGPRX1 (0.37) GPR3ELANEMAPTALDH1A1HPGD
SCHEMBL24882075 0.73 GPR3 (0.46) GPR3MAPTPTPN7DUSP3PTPN12
SCHEMBL3378060 0.71 GPR3 (0.54) GPR3MAPTMIFGABRA1ALDH1A1
SCHEMBL30376713 0.71 GPR3 (0.54) GPR3MAPTMIFGABRA1ALDH1A1

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 3 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
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 — — 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 (3 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 GPR3 4532/4885ELANE 4019/4885ROCK1 1989/4885
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SLC43A1, SLC7A5, L1CAM GPR3 3871/4885ELANE 58/4885ROCK1 4164/4885
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SLC43A1, SLC7A5, L1CAM GPR3 3871/4885ELANE 58/4885ROCK1 4164/4885

“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.

Send feedback