SCHEMBL5811280

SCHEMBL5811280

COCNC(=O)c1nn(C2CCCCO2)c2ccc(I)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ ATR Q13535 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ POLQ O75417 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ PIK3CD O00329 1/20 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
SCHEMBL5811286 0.80 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19882522 0.80 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21312171 0.77 HTR3A (0.35) RXRARXRBRXRGALDH1A1HTT
SCHEMBL16125889 0.74 ELANE (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31005998 0.74 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31005979 0.74 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL18823955 0.74 HTR3A (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL6502931 0.74 ELANE (0.51) RXRARXRBRXRGALDH1A1HTT
SCHEMBL29593200 0.74 ELANE (0.51) RXRARXRBRXRGALDH1A1HTT
SCHEMBL16881036 0.74 CNR2 (0.39) RXRARXRBRXRGALDH1A1DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006054151-A1 SYNTHESIS OF 5-BROMO-4-METHYL-PYRIDIN-3-YLMETHYL)-ETHYL-CARBAMIC ACID TERT-BUTYL ESTER PFIZER INC., (US) 2006-05-26 — — WO disclosed
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 — — 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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 RXRA 2748/4885RXRB 2441/4885RXRG 2226/4885

“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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