Sugi Predict

Sugi Predict / Compounds / SCHEMBL8737256

SCHEMBL8737256

SCHEMBL8737256

Cc1ccc(C)c2c1ncn2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 6/20 0.36
▸ CHUK O15111 6/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ POLB P06746 3/20 0.34
▸ GDA Q9Y2T3 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ MC3R P41968 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
SCHEMBL12256556 0.84 IKBKB (0.37) IKBKBCHUKCDK2PLK1BTK
SCHEMBL4402905 0.84 ADORA2A (0.39) IKBKBCHUKCDK2PLK1BTK
SCHEMBL13683174 0.84 POLB (0.37) IKBKBCHUKCDK2PLK1BTK
SCHEMBL8737240 0.81 LMNA (0.33) IKBKBCHUKCDK2PLK1BTK
SCHEMBL8737277 0.81 KDM4E (0.33) IKBKBCHUKCDK2PLK1BTK
SCHEMBL15322423 0.74 PDE4A (0.44) POLBTP53ALDH1A1TSHRRAB9A
SCHEMBL15339546 0.74 LMNA (0.35) IKBKBCHUKCDK2PLK1BTK
SCHEMBL18323583 0.72 ADORA2A (0.41) CDK2ADORA2AADORA1DPP4DPP8
SCHEMBL15907143 0.72 PI4KA (0.41) ALDH1A1RAB9AKDM4ELMNAMAPT
SCHEMBL4403585 0.71 AHCY (0.50) IKBKBADORA2AADORA1ADORA2BCDK1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 — — US disclosed
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 — — US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 — — US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 — — US disclosed
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 — — US disclosed
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2012-10-04 — — US disclosed
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 — — US disclosed
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 — — US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 — — US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 — — US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 — — US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 — — US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 — — US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 — — US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 — — US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 — — US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 — — 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 (10 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IKBKB 1105/4885CHUK 784/4885CDK2 998/4885
US-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IKBKB 1112/4885CHUK 949/4885CDK2 1885/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP IKBKB 902/4885CHUK 524/4885CDK2 1688/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP IKBKB 902/4885CHUK 524/4885CDK2 1688/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IKBKB 434/4885CHUK 383/4885CDK2 1117/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IKBKB 1112/4885CHUK 949/4885CDK2 1885/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IKBKB 363/4885CHUK 410/4885CDK2 1118/4885
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, AADAC IKBKB 931/4885CHUK 383/4885CDK2 771/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IKBKB 543/4885CHUK 433/4885CDK2 1293/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 IKBKB 1053/4885CHUK 829/4885CDK2 2081/4885

“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.