Sugi Predict

Sugi Predict / Compounds / SCHEMBL459962

SCHEMBL459962

SCHEMBL459962

Cc1ccc(-c2c(C(O)C(=O)O)c(C)nc3ccnn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.42
▸ KDR P35968 1/20 0.37
▸ PDE4B Q07343 9/20 0.35
▸ PDE4D Q08499 8/20 0.35
▸ PDE4A P27815 7/20 0.34
▸ PDE4C Q08493 7/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 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
SCHEMBL458548 0.87 KDR (0.37) PSIP1KDRPDE4BPDE4DPDE4A
SCHEMBL2045772 0.83 PSIP1 (0.61) PSIP1
SCHEMBL461036 0.82 PSIP1 (0.48) PSIP1
SCHEMBL461844 0.79 KDM4E (0.53) PSIP1KDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL2045656 0.76 PSIP1 (0.48) PSIP1KDRPDE4BPDE4DPDE4A
SCHEMBL459408 0.75 PSIP1 (0.38) PSIP1KDRPDE4BPDE4DPDE4A
SCHEMBL462981 0.73 ALDH1A1 (0.45) KDRPDE4BPDE4DKDM4ESMN1; SMN2
SCHEMBL459796 0.72 KDR (0.35) KDRPDE4BPDE4DPDE4APDE4C
SCHEMBL462663 0.72 KDR (0.35) KDRPDE4BPDE4DPDE4APDE4C
SCHEMBL2041498 0.69 PSIP1 (0.46) PSIP1KDRPDE4BPDE4DPDE4A

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
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 — — EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 — — WO disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 — — WO 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS PSIP1 1676/4885KDR 4247/4885PDE4B 1607/4885

“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.