SCHEMBL18253164

SCHEMBL18253164

CC(C)(C)OC(=O)n1cc(-c2cn[nH]c2)c2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.45
▸ ELANE P08246 7/20 0.43
▸ PIK3CA P42336 1/20 0.40
▸ CHUK O15111 3/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ CAMK2B Q13554 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ MAP3K14 Q99558 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36

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
SCHEMBL18253173 0.78 ELANE (0.46) ELANEGPR119
SCHEMBL31219308 0.76 ELANE (0.47) ELANE
SCHEMBL13425915 0.76 ELANE (0.47) ELANE
SCHEMBL29361290 0.76 PIM1 (0.39) ELANEPIM1MARK3MAP4K2CAMK2B
SCHEMBL31710700 0.76 ELANE (0.51) ELANE
SCHEMBL16562895 0.76 ELANE (0.44) ELANE
SCHEMBL23163135 0.76 CDK1 (0.43) ELANEPIM1MARK3MAP4K2CAMK2B
SCHEMBL19659912 0.76 ELANE (0.38) ELANEGPR119PIM1MARK3MAP4K2
SCHEMBL2675518 0.75 ELANE (0.55) ELANE
SCHEMBL295518 0.75 ELANE (0.55) ELANEGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 — — US disclosed
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-29 — — US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 — — US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 — — US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 — — US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 — — US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 — — US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 — — 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 (4 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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC JAK1 537/4885ELANE 1125/4885PIK3CA 2238/4885
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC JAK1 498/4885ELANE 1026/4885PIK3CA 2062/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC JAK1 537/4885ELANE 1125/4885PIK3CA 2238/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC JAK1 537/4885ELANE 1125/4885PIK3CA 2238/4885

“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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