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Sugi Predict / Compounds / SCHEMBL4397696

SCHEMBL4397696

SCHEMBL4397696

O=C(O)c1nc2n(c(=O)c1OCc1ccccc1)CCN2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CLPP Q16740 10/20 0.43
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 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
SCHEMBL4394610 0.89 ALDH1A1 (0.39) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL4393612 0.87 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL4397969 0.86 CYP1A2 (0.42) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL4397399 0.86 ADORA3 (0.41) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL4397474 0.85 CYP1A2 (0.41) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL4394500 0.84 TP53 (0.43) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL4397714 0.83 SCD (0.49) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL4394462 0.82 CYP1A2 (0.39) ALDH1A1TSHRLMNAHPGDHSD17B10
SCHEMBL4394461 0.79 HPGD (0.44) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL4399245 0.77 KDM4E (0.39) ALDH1A1TSHRKDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919921-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 — — EP disclosed
EP-1919921-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 — — EP disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 — — US disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 — — US disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 — — US disclosed
WO-2007027754-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-08 — — WO disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 — — US disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 — — US disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 — — 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-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors CCNI, APOBEC3C, CDKN1A ALDH1A1 500/4885TSHR 4856/4885KDM4E 1184/4885

“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.