SCHEMBL19162623

SCHEMBL19162623

Cc1nc(C(C)(C)C)c2c(n1)sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ ADK P55263 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GPR3 P46089 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ROCK1 Q13464 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL24627146 0.84 ELANE (0.41) ELANEGPR55ADKMAPTGPR3
SCHEMBL25016632 0.83 ELANE (0.40) ELANEGPR55ADKMAPTGPR3
SCHEMBL19161279 0.81 ATM (0.39) ELANEMAPTALDH1A1KDM4EGAA
SCHEMBL19118255 0.79 ELANE (0.43) ELANEGPR55ADKMAPTGPR3
SCHEMBL19161966 0.79 ATM (0.38) ELANEMAPTALDH1A1KDM4EGAA
SCHEMBL22988563 0.78 ELANE (0.43) ELANEGPR55ADKMAPTGPR3
SCHEMBL19161968 0.77 ELANE (0.36) ELANEGPR55ADKMAPTGPR3
SCHEMBL24627103 0.77 TNF (0.45) ELANEMAPTALDH1A1KDM4ENPSR1
SCHEMBL21164751 0.76 MRGPRX1 (0.37) ELANEMAPTGPR3ALDH1A1MEN1
SCHEMBL19161200 0.76 ELANE (0.38) ELANEADKMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 — — 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 (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-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ELANE 2532/4885GPR55 3466/4885ADK 4277/4885

“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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