Sugi Predict

Sugi Predict / Compounds / SCHEMBL1007828

SCHEMBL1007828

SCHEMBL1007828

NCc1ccc2c(c1)nc(N)c1ncccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.50
▸ DHFR P00374 1/20 0.40
▸ AKT1 P31749 3/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ NOS1 P29475 3/20 0.37
▸ NOS2 P35228 3/20 0.37
▸ NOS3 P29474 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ AKT2 P31751 2/20 0.37
▸ TLR7 Q9NYK1 4/20 0.37
▸ TLR8 Q9NR97 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PRMT5 O14744 1/20 0.36

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
SCHEMBL1007451 0.87 KCNH2 (0.40) DHFRNOS1NOS2NOS3HSP90AA1
SCHEMBL1008775 0.87 HSP90AA1 (0.40) DHFRHSP90AA1HSP90AB1ALDH1A1TLR7
SCHEMBL1007749 0.84 MAP4K4 (0.40) DHFRHSP90AA1HSP90AB1ALDH1A1TLR7
SCHEMBL1006690 0.84 TLR7 (0.42) DHFRTLR7TLR8
SCHEMBL1008350 0.84 KDM4E (0.45) ROCK1DHFRNOS1NOS3TLR7
SCHEMBL1056691 0.83 NPC1 (0.42) DHFRNOS1NOS2NOS3TLR7
SCHEMBL1006427 0.83 TLR7 (0.43) DHFRHSP90AA1HSP90AB1TLR7TLR8
SCHEMBL1063172 0.81 TLR8 (0.49) TLR7TLR8
SCHEMBL1010293 0.81 HSP90AA1 (0.49) DHFRHSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL1008137 0.80 HSP90AA1 (0.35) DHFRHSP90AA1HSP90AB1ALDH1A1TLR7

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558971-A1 HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2019-10-30 — — EP claimed
US-20180186745-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-05 — — US claimed
WO-2018119208-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-06-28 — — WO claimed
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 — — EP claimed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 — — US claimed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 — — EP claimed
US-11713299-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-08-01 — — US disclosed
EP-4063358-A1 HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2022-09-28 — — EP disclosed
US-20210107876-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2021-04-15 — — US disclosed
US-10829452-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 — — US disclosed
EP-3558971-A1 HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2019-10-30 — — EP disclosed
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-22 — — US disclosed
US-20180186745-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-05 — — US disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 — — US disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 — — US disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 — — EP disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 — — WO disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 — — WO disclosed
WO-2010017330-A1 MICROPARTICLES FOR USE IN IMMUNOGENIC COMPOSITIONS NOVARTIS AG (CH) 2010-02-11 — — WO disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 — — 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 (6 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-20180186745-A1 HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, EZH2 ROCK1 894/4885DHFR 1640/4885AKT1 181/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 ROCK1 2882/4885DHFR 4624/4885AKT1 1632/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 ROCK1 3970/4885DHFR 4640/4885AKT1 1827/4885
US-10829452-B2 Histone methyltransferase inhibitors EHMT1, DOT1L, EHMT2 ROCK1 148/4885DHFR 2120/4885AKT1 236/4885
US-20210107876-A1 HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, EZH2 ROCK1 894/4885DHFR 1640/4885AKT1 181/4885
US-11713299-B2 Histone methyltransferase inhibitors EHMT1, DOT1L, EHMT2 ROCK1 160/4885DHFR 1976/4885AKT1 232/4885

“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.