SCHEMBL5811513

SCHEMBL5811513

COC(=O)c1nn(C(N)=O)c2ccc(I)cc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.51
PLAU P00749 6/20 0.48
F2 P00734 5/20 0.48
CTRB1 P17538 3/20 0.48
KLKB1 P03952 1/20 0.48

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
SCHEMBL1141216 0.82 GABRG2 (0.50) ELANEPLAUF2CTRB1KLKB1
SCHEMBL4476722 0.80 ELANE (0.72) ELANEPLAUF2CTRB1KLKB1
SCHEMBL5945676 0.78 KMT2A (0.41) ELANE
SCHEMBL16516751 0.74 ELANE (0.53) ELANEPLAUF2CTRB1KLKB1
SCHEMBL1141753 0.70 ELANE (0.41) ELANEPLAUF2CTRB1KLKB1
SCHEMBL3452457 0.70 ELANE (0.70) ELANEPLAUF2CTRB1KLKB1
SCHEMBL16516971 0.67 ELANE (0.48) ELANE
SCHEMBL2432444 0.67 ELANE (0.74) ELANEPLAUF2CTRB1KLKB1
SCHEMBL960403 0.67 ELANE (0.44) ELANEPLAUF2CTRB1KLKB1
SCHEMBL18511974 0.67 ELANE (0.65) ELANEPLAUF2CTRB1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142345-A1 3,5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-06-29 US disclosed
US-20060116519-A1 Synthesis of 5-bromo-4-methyl-pyridin-3-ylmethyl)-ethyl-carbamic acid tert-butyl ester AGOURON PHARMACEUTICALS, INC. 2006-06-01 US disclosed
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-7008953-B2 3, 5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2006-03-07 US 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
US-20050026960-A1 3, 5 disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-02-03 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 (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-20060116519-A1 Synthesis of 5-bromo-4-methyl-pyridin-3-ylmethyl)-ethyl-carbamic acid tert-butyl ester TERT, BRD4, PRMT5 ELANE 2109/4885PLAU 813/4885F2 2741/4885
US-20050026960-A1 3, 5 disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDKL3 ELANE 3514/4885PLAU 3502/4885F2 4119/4885
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 ELANE 3200/4885PLAU 3475/4885F2 3817/4885
US-20060142345-A1 3,5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDKL3 ELANE 3514/4885PLAU 3502/4885F2 4119/4885

“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.