Sugi Predict

Sugi Predict / Compounds / SCHEMBL1633300

SCHEMBL1633300

SCHEMBL1633300

COC(=O)c1cc(N2CCOCC2)cc2[nH]c(C(F)F)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ APAF1 O14727 1/20 0.40
▸ TDP2 O95551 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ PLCG1 P19174 1/20 0.40
▸ GALK1 P51570 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PDIA6 Q15084 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 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
SCHEMBL27921732 0.86 PIK3C2B (0.46) PIK3CBNPC1RAB9AMAPTMEN1
SCHEMBL1632944 0.85 ALDH1A1 (0.47) PIK3CBALDH1A1NPC1RAB9AMAPT
SCHEMBL1633176 0.84 ALDH1A1 (0.44) PIK3CBALDH1A1NPC1RAB9AMAPT
SCHEMBL1688037 0.83 ALDH1A1 (0.44) PIK3CBALDH1A1NPC1RAB9AMAPT
SCHEMBL1281793 0.83 NPC1 (0.42) PIK3CBALDH1A1NPC1RAB9AMAPT
SCHEMBL1890227 0.76 PARP1 (0.48) PIK3CBALDH1A1MAPTPIK3CDKDM4E
SCHEMBL10183593 0.75 PIK3CD (0.42) PIK3CBALDH1A1MAPTMEN1KMT2A
SCHEMBL1281993 0.73 PDE3B (0.44) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL1281782 0.73 MAPT (0.47) PIK3CBALDH1A1NPC1RAB9AMAPT
SCHEMBL1282463 0.72 MAPT (0.43) PIK3CBALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660898-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2020-05-26 — — US disclosed
US-20190255064-A1 BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2019-08-22 — — US disclosed
US-10314845-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2019-06-11 — — US disclosed
US-9872860-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2018-01-23 — — US disclosed
US-9872860-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2018-01-23 — — US disclosed
EP-3170813-A1 BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS Glaxosmithkline LLC (US) 2017-05-24 — — EP disclosed
US-20170112844-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC 2017-04-27 — — US disclosed
US-20170112844-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC 2017-04-27 — — US disclosed
US-9156797-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-10-13 — — US disclosed
US-9156797-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-10-13 — — US disclosed
US-8541411-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-09-24 — — US disclosed
US-8541411-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-09-24 — — US disclosed
US-20130196990-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC 2013-08-01 — — US disclosed
US-20130196990-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC 2013-08-01 — — US disclosed
US-20130197221-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-01 — — US disclosed
US-20130197221-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-01 — — US disclosed
US-8435988-B2 Benzimidazole derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-05-07 — — US disclosed
US-8435988-B2 Benzimidazole derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-05-07 — — US disclosed
US-20120088767-A1 BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2012-04-12 — — US disclosed
WO-2012047538-A1 BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-04-12 — — 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 (7 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-20170112844-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA PIK3CB 4/4885ALDH1A1 1375/4885NPC1 4123/4885
US-20120088767-A1 BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS PI4KB, PI4KA, PIK3CD PIK3CB 4/4885ALDH1A1 1291/4885NPC1 4100/4885
US-10660898-B2 Benzimidazole derivatives as PI3 kinase inhibitors PI4KB, PIK3CD, PI4KA PIK3CB 4/4885ALDH1A1 1375/4885NPC1 4123/4885
US-20130196990-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA PIK3CB 4/4885ALDH1A1 1375/4885NPC1 4123/4885
US-10314845-B2 Benzimidazole derivatives as PI3 kinase inhibitors PI4KB, PIK3CD, PI4KA PIK3CB 4/4885ALDH1A1 1375/4885NPC1 4123/4885
US-20130197221-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA PIK3CB 4/4885ALDH1A1 1375/4885NPC1 4123/4885
US-20190255064-A1 BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS PI4KB, PIK3CD, PI4KA PIK3CB 4/4885ALDH1A1 1375/4885NPC1 4123/4885

“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.