SCHEMBL22718630

SCHEMBL22718630

C=Cc1nn2c(c1I)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.36
▸ TGM2 P21980 4/20 0.35
▸ F13A1 P00488 3/20 0.35
▸ TGM1 P22735 3/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ F12 P00748 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ STS P08842 1/20 0.33
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL22718580 0.89 NR1H2 (0.37) NR1H2ESR2USP2SMN1; SMN2ALDH1A1
SCHEMBL26645063 0.81 NR1H2 (0.38) NR1H2ESR2USP2SMN1; SMN2ALDH1A1
SCHEMBL22718764 0.80 — —
SCHEMBL22716585 0.79 NR1H2 (0.39) NR1H2ESR2USP2SMN1; SMN2ALDH1A1
SCHEMBL22716316 0.78 KRAS (0.33) NR1H2TGM2F13A1TGM1ESR2
SCHEMBL16699166 0.75 ADORA1 (0.44) NR1H2ESR2USP2SMN1; SMN2ALDH1A1
SCHEMBL26119128 0.74 NR1H2 (0.41) NR1H2TGM2F13A1TGM1ESR2
SCHEMBL16711291 0.74 CSNK1E (0.43) —
SCHEMBL16711450 0.74 CSNK1E (0.52) —
SCHEMBL26645223 0.73 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220242879-A1 FUSED HETEROCYCLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-08-04 — — US disclosed
US-20220153754-A1 FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2022-05-19 — — US disclosed
EP-3976620-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 — — EP disclosed
EP-3976619-A1 FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 — — EP disclosed
WO-2020243153-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 — — WO 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-20220153754-A1 FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS ZC3HAV1, CALM1, ZC3HAV1L NR1H2 1610/4885TGM2 4226/4885F13A1 512/4885
US-20220242879-A1 FUSED HETEROCYCLE DERIVATIVES HAVCR2, HCCS, CYP3A4 NR1H2 59/4885TGM2 1471/4885F13A1 1884/4885

“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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