Sugi Predict

Sugi Predict / Compounds / SCHEMBL620235

SCHEMBL620235

SCHEMBL620235

CC(C)(C)OC(=O)N1CCC(CNc2cc(N)ncc2Br)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.53
▸ TDO2 P48775 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ BCDIN3D Q7Z5W3 1/20 0.47
▸ SYK P43405 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.44
▸ ALOX5AP P20292 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ TGFBR1 P36897 5/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ FPR3 P25089 1/20 0.41
▸ FPR2 P25090 1/20 0.41

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
SCHEMBL618365 0.88 BRD4 (0.49) IDO1TDO2KDM4EPKMBRD4
SCHEMBL619819 0.84 ALDH1A1 (0.49) BRD4SYKNAMPTGPR119MAPT
SCHEMBL620508 0.84 KDM4E (0.39) IDO1TDO2KDM4E
SCHEMBL13893597 0.84 IDO1 (0.53) IDO1TDO2KDM4EPKMBRD4
SCHEMBL20154979 0.82 BCDIN3D (0.53) IDO1TDO2KDM4EPKMBCDIN3D
SCHEMBL10172522 0.81 TGFBR1 (0.51) IDO1TDO2KDM4EPKMBRD4
SCHEMBL29492796 0.80 IDO1 (0.49) IDO1TDO2KDM4EPKMBRD4
SCHEMBL30578496 0.80 IDO1 (0.49) IDO1TDO2KDM4EPKMBRD4
SCHEMBL22716771 0.80 IDO1 (0.49) IDO1TDO2KDM4EPKMBRD4
SCHEMBL4460419 0.78 IDO1 (0.53) IDO1TDO2KDM4EPKMBCDIN3D

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
EP-2197874-B1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2016-08-31 — — EP disclosed
EP-2197874-B1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2016-08-31 — — EP disclosed
US-8367658-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-05 — — US disclosed
US-8367658-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-05 — — US disclosed
US-8367658-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-05 — — US disclosed
US-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-02-16 — — US disclosed
US-8058045-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-11-15 — — US disclosed
US-8058045-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-11-15 — — US disclosed
US-8058045-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-11-15 — — US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 — — US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 — — US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 — — US disclosed
EP-2197874-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-06-23 — — EP disclosed
WO-2009044162-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-09 — — WO disclosed
WO-2009044162-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-09 — — 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-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, PLK1 IDO1 865/4885TDO2 1407/4885KDM4E 1193/4885
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, BUB1B IDO1 1072/4885TDO2 2090/4885KDM4E 1296/4885

“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.