Sugi Predict

Sugi Predict / Compounds / SCHEMBL4060247

SCHEMBL4060247

SCHEMBL4060247

COc1c(N)cc(C)nc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NCF1 P14598 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ NR4A2 P43354 2/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ UHRF1 Q96T88 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ TERT O14746 1/20 0.32
▸ HSP90AB1 P08238 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
SCHEMBL26601656 0.79 CA2 (0.45) POLBL3MBTL1TSHRALDH1A1CA2
SCHEMBL24157026 0.78 ACHE (0.46) POLBL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL24156423 0.76 TDP1 (0.45) POLBALDH1A1CA2CA4HSD17B10
SCHEMBL30079775 0.72 CA2 (0.42) POLBL3MBTL1TSHRNOS3NOS1
SCHEMBL31042943 0.72 POLB (0.36) POLBL3MBTL1NCF1TSHRNOS3
SCHEMBL24823497 0.72 CA2 (0.42) POLBL3MBTL1TSHRNOS3NOS1
SCHEMBL31128155 0.72 MAPT (0.47) POLBL3MBTL1TSHRHSP90AA1ALDH1A1
SCHEMBL16506828 0.69 CA2 (0.43) POLBL3MBTL1TSHRHSP90AA1CA2
SCHEMBL30622685 0.67 NCF1 (0.38) POLBNCF1TSHRNOS3NOS1
SCHEMBL31128181 0.67 NQO2 (0.41) POLBL3MBTL1TSHRHSP90AA1ALDH1A1

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
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 — — EP disclosed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 — — US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 — — US disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 — — EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 — — US disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 — — 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 (2 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-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA POLB 48/4885L3MBTL1 1918/4885NCF1 665/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA POLB 48/4885L3MBTL1 1918/4885NCF1 665/4885

“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.