Sugi Predict

Sugi Predict / Compounds / SCHEMBL4399210

SCHEMBL4399210

SCHEMBL4399210

O=C(NCc1ccc(F)cc1N1CCCC1=O)c1nc2n(c(=O)c1OCc1ccccc1)CCN2c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ MGAT2 Q10469 2/20 0.39
▸ P2RX7 Q99572 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ METTL3 Q86U44 1/20 0.36
▸ METTL14 Q9HCE5 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ METAP2 P50579 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ GRM3 Q14832 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL4392646 0.96 GRM5 (0.36) LMNAMGAT2P2RX7METAP2GRM5
SCHEMBL4398632 0.87 LMNA (0.41) LMNAP2RX7MEN1KMT2ANPC1
SCHEMBL13953644 0.86 P2RX7 (0.34) LMNAP2RX7METAP2GRM5GRM3
SCHEMBL4397521 0.86 KCNT1 (0.36) LMNAP2RX7METAP2GRM5GRM3
SCHEMBL4400787 0.85 P2RX7 (0.35) P2RX7METAP2GRM5GRM3TP53
SCHEMBL4392706 0.85 P2RX7 (0.36) LMNAP2RX7KMT2AMETAP2GRM5
SCHEMBL4397356 0.85 SCD (0.36) LMNAP2RX7METAP2GRM5GRM3
SCHEMBL14566971 0.85 METAP2 (0.36) LMNAP2RX7MEN1KMT2AMETAP2
SCHEMBL4398021 0.84 LMNA (0.48) LMNARAB9AMETAP2GRM5GRM3
SCHEMBL4044242 0.83 MGAT2 (0.37) LMNAMGAT2P2RX7MEN1KMT2A

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
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
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 LMNA 796/4885MGAT2 3713/4885P2RX7 2374/4885

“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.