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Sugi Predict / Compounds / SCHEMBL18159826

SCHEMBL18159826

SCHEMBL18159826

O=C1NCC2CN(c3ncc(-c4ccc5nc6n(c5n4)C(c4ccccc4)CC6)cn3)CCN12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 7/20 0.51
▸ EIF2AK4 Q9P2K8 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ CYP1A2 P05177 5/20 0.33
▸ CYP2C9 P11712 5/20 0.33
▸ CASP1 P29466 5/20 0.33
▸ CASP7 P55210 5/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ USP2 O75604 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32

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
SCHEMBL18159837 1.00 TNF (0.51) TNFEIF2AK4ALDH1A1CYP1A2CYP2C9
SCHEMBL18150746 1.00 TNF (0.51) TNFEIF2AK4ALDH1A1CYP1A2CYP2C9
SCHEMBL18150792 0.91 TNF (0.44) TNFEIF2AK4CYP1A2CYP3A4FAAH
SCHEMBL18163108 0.91 TNF (0.48) TNF
SCHEMBL18151758 0.89 TNF (0.49) TNFALDH1A1CYP1A2CYP2C9CASP1
SCHEMBL18151585 0.89 TNF (0.49) TNFALDH1A1CYP1A2CYP2C9CASP1
SCHEMBL18159855 0.88 TNF (0.41) TNFEIF2AK4ALDH1A1CYP1A2CYP2C9
SCHEMBL18150994 0.88 TNF (0.41) TNFEIF2AK4ALDH1A1CYP1A2CYP2C9
SCHEMBL20323578 0.87 TNF (0.45) TNFEIF2AK4ALDH1A1CYP1A2CYP2C9
SCHEMBL20323576 0.87 TNF (0.45) TNFEIF2AK4ALDH1A1CYP1A2CYP2C9

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-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 — — US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 — — US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 — — US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 — — US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 — — US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 — — 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 TNF 1/4885EIF2AK4 1483/4885ALDH1A1 1896/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 TNF 1/4885EIF2AK4 1483/4885ALDH1A1 1896/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 TNF 1/4885EIF2AK4 1483/4885ALDH1A1 1896/4885

“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.