SCHEMBL10327299

SCHEMBL10327299

CC(C)(C)c1nnnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ GPR3 P46089 2/20 0.46
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ CASP14 P31944 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ CASP2 P42575 1/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ CASP5 P51878 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP9 P55211 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CASP8 Q14790 1/20 0.38

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
SCHEMBL13449782 0.77 GPR3 (0.39) CYP1A2CYP2C19GPR3TDP1ATM
SCHEMBL14289090 0.75 LATS1 (0.36) —
SCHEMBL14289098 0.75 MAPT (0.39) CYP1A2CYP2C19LMNAHTTMEN1
SCHEMBL14289093 0.75 CYP1A2 (0.31) CYP1A2CYP2C19
SCHEMBL1868846 0.71 GPR3 (0.52) CYP1A2CYP2C19LMNAHTTGPR3
SCHEMBL1911314 0.71 CYP1A2 (0.55) CYP1A2CYP2C19LMNAHTTGPR3
SCHEMBL803121 0.71 PI4KA (0.50) CYP1A2LMNAHTTRAB9ATDP1
SCHEMBL14289099 0.71 HSP90AA1 (0.35) CYP1A2CYP2C19LMNAHTTKMT2A
SCHEMBL3075819 0.70 LMNA (0.75) CYP1A2CYP2C19LMNAHTTGPR3
SCHEMBL179260 0.69 LMNA (0.49) CYP1A2LMNAHTTGPR3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753446-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2023-09-12 — — US disclosed
US-9957297-B2 Template-fixed peptidomimetics as inhibitors of FPR1 POLYPHOR AG (CH) 2018-05-01 — — US disclosed
US-9938322-B2 β-hairpin peptidomimetics POLYPHOR AG (CH) 2018-04-10 — — US disclosed
US-20180072774-A1 BACKBONE-CYCLIZED PEPTIDOMIMETICS WITH GLP-1R MODULATING ACTIVITY POLYPHOR AG (CH) 2018-03-15 — — US disclosed
US-20180072775-A1 Beta-Hairpin Peptidomimetics POLYPHOR AG (CH) 2018-03-15 — — US disclosed
US-20180044380-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2018-02-15 — — US disclosed
US-9850284-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2017-12-26 — — US disclosed
US-20170253634-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2017-09-07 — — US disclosed
US-20170218026-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2017-08-03 — — US disclosed
US-20160060298-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2016-03-03 — — US disclosed
US-20140287986-A1 TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1 POLYPHOR AG (CH) 2014-09-25 — — US disclosed
US-8217177-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-10 — — US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 — — US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 — — 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 (9 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-20140287986-A1 TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1 FPR1, FPR3, FPR2 CYP1A2 3696/4885CYP2C19 2192/4885LMNA 1842/4885
US-20180044380-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, BACE1, C1S CYP1A2 3983/4885CYP2C19 2664/4885LMNA 2275/4885
US-20180072774-A1 BACKBONE-CYCLIZED PEPTIDOMIMETICS WITH GLP-1R MODULATING ACTIVITY GLP1R, GIPR, SSTR1 CYP1A2 2933/4885CYP2C19 2259/4885LMNA 2624/4885
US-20170253634-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, BACE1, C1S CYP1A2 3983/4885CYP2C19 2664/4885LMNA 2275/4885
US-20170218026-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, BACE1, C1S CYP1A2 4019/4885CYP2C19 2623/4885LMNA 2311/4885
US-20160060298-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, C1S, BACE1 CYP1A2 3857/4885CYP2C19 2664/4885LMNA 3051/4885
US-20180072775-A1 Beta-Hairpin Peptidomimetics POLQ, POLL, POLM CYP1A2 4770/4885CYP2C19 4091/4885LMNA 1495/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET CYP1A2 4345/4885CYP2C19 4235/4885LMNA 4752/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S CYP1A2 3983/4885CYP2C19 2664/4885LMNA 2275/4885

“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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