Sugi Predict

Sugi Predict / Compounds / SCHEMBL4399671

SCHEMBL4399671

SCHEMBL4399671

CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCN2CCOC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ GABRA4 P48169 2/20 0.40
▸ GABRE P78334 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40
▸ GABRG1 Q8N1C3 2/20 0.40
▸ GABRG3 Q99928 2/20 0.40
▸ GABRQ Q9UN88 2/20 0.40

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
SCHEMBL4399245 0.91 KDM4E (0.39) TSHRALDH1A1HPGDADORA2BKDM4E
SCHEMBL4393854 0.90 ADORA3 (0.39) ALDH1A1HPGDADORA2BKDM4ELMNA
SCHEMBL4397969 0.89 CYP1A2 (0.42) CYP1A2CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL4393612 0.89 ALDH1A1 (0.46) TSHRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4395071 0.86 KDM4E (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4397168 0.83 CASP3 (0.44) GABRA2GABRB2ALDH1A1HPGDMAPT
SCHEMBL5643707 0.82 PDE3B (0.41) ALDH1A1HPGDMAPTHSD17B10ADORA2B
SCHEMBL4399240 0.82 ADORA3 (0.39) TSHRALDH1A1HPGDKDM4ELMNA
SCHEMBL4399163 0.81 SMN1; SMN2 (0.47) CYP1A2CYP3A4MAPK1ALDH1A1HPGD
SCHEMBL5538122 0.80 KDM4E (0.40) CYP1A2CYP3A4TSHRGABRA1GABRG2

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 8 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
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 CYP1A2 215/4885CYP3A4 170/4885TSHR 4856/4885

“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.