Sugi Predict

Sugi Predict / Compounds / SCHEMBL431886

SCHEMBL431886

SCHEMBL431886

CN1CCN(c2ccc(Br)cc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.48
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ XDH P47989 1/20 0.45
▸ ROCK2 O75116 2/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ CDC42BPB Q9Y5S2 2/20 0.45
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL31448168 0.94 ROCK2 (0.49) DRD4NOS3NOS1NOS2XDH
SCHEMBL28905298 0.94 ROCK2 (0.49) DRD4NOS3NOS1NOS2XDH
SCHEMBL4454407 0.84 AR (0.57) DRD4ROCK2ROCK1CDC42BPBLMNA
SCHEMBL1331262 0.83 AR (0.56) DRD4ROCK2ROCK1CDC42BPBLMNA
SCHEMBL16793210 0.83 AR (0.56) DRD4ROCK2ROCK1CDC42BPBLMNA
SCHEMBL21590205 0.83 DRD4 (0.54) DRD4NOS3NOS1NOS2GAA
SCHEMBL429182 0.83 DRD4 (0.46) DRD4NOS3NOS1NOS2GAA
SCHEMBL16112126 0.83 DRD4 (0.46) DRD4NOS3NOS1NOS2XDH
SCHEMBL13419452 0.81 KDM4E (0.57) XDHROCK2ROCK1CDC42BPBGAA
SCHEMBL28311934 0.81 MEN1 (0.51) DRD4NOS3NOS1NOS2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 — — CN disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 — — WO disclosed
US-9745311-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE CORPORATION (US) 2017-08-29 — — US disclosed
US-9745311-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE CORPORATION (US) 2017-08-29 — — US disclosed
US-9745311-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE CORPORATION (US) 2017-08-29 — — US disclosed
US-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION 2016-09-29 — — US disclosed
US-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION 2016-09-29 — — US disclosed
US-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION 2016-09-29 — — US disclosed
US-9388185-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-07-12 — — US disclosed
US-9388185-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-07-12 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 — — EP disclosed
CN-101687869-A Tetracyclic lactam derivatives as MK2 inhibitors NOVARTIS AG 2010-03-31 — — CN disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — WO disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — 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-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR2, FGFR3 DRD4 4856/4885NOS3 4292/4885NOS1 4388/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 DRD4 3010/4885NOS3 3556/4885NOS1 3314/4885

“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.