SCHEMBL4466016

SCHEMBL4466016

O=C(CBr)c1c[nH]c2ncccc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.61
CCNE1 P24864 9/20 0.54
CDK2 P24941 9/20 0.54
AXL P30530 1/20 0.51
MTNR1A P48039 1/20 0.51
ADORA2A P29274 1/20 0.51
CNR2 P34972 1/20 0.50
PKM P14618 1/20 0.50
GPR84 Q9NQS5 1/20 0.50
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47

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
SCHEMBL857071 0.88 MAP2K1 (0.58) MAP2K1CCNE1CDK2AXLMTNR1A
SCHEMBL3886913 0.86 MAP2K1 (0.63) MAP2K1CCNE1CDK2AXLMTNR1A
SCHEMBL857139 0.85 MAP2K1 (0.56) MAP2K1CCNE1CDK2AXLMTNR1A
SCHEMBL12729266 0.84 MAP2K1 (0.66) MAP2K1CCNE1CDK2AXLMTNR1A
SCHEMBL13306576 0.84 MAP2K1 (0.61) MAP2K1CCNE1CDK2AXLMTNR1A
SCHEMBL13333283 0.84 MAP2K1 (0.61) MAP2K1CCNE1CDK2AXLMTNR1A
SCHEMBL13306427 0.84 MAP2K1 (0.55) MAP2K1CCNE1CDK2AXLMTNR1A
SCHEMBL27708260 0.82 MAP2K1 (0.71) MAP2K1CCNE1CDK2AXLMTNR1A
SCHEMBL985214 0.82 MAP2K1 (0.71) MAP2K1CCNE1CDK2AXLMTNR1A
SCHEMBL29468201 0.82 MAP2K1 (0.71) MAP2K1CCNE1CDK2AXLMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522154-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-03-19 EP disclosed
WO-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2021064141-A1 INHIBITORS OF DUAL SPECIFICITY TYROSINE PHOSPHORYLATION REGULATED KINASE 1B TOLREMO THERAPEUTICS AG (CH) 2021-04-08 WO disclosed
WO-2021064141-A1 INHIBITORS OF DUAL SPECIFICITY TYROSINE PHOSPHORYLATION REGULATED KINASE 1B TOLREMO THERAPEUTICS AG (CH) 2021-04-08 WO disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
WO-2012162468-A1 THIAZOL DERIVATIVES AS PRO -MATRIX METALLOPROTEINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
EP-1756108-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-02-28 EP disclosed
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-01-05 US disclosed
WO-2005103050-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-03 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 (4 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA MAP2K1 536/4885CCNE1 1649/4885CDK2 159/4885
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION MMP13, MMP8, MMP11 MAP2K1 3321/4885CCNE1 4605/4885CDK2 3106/4885
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases ROCK2, ROCK1, TNK2 MAP2K1 310/4885CCNE1 1407/4885CDK2 88/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 MAP2K1 335/4885CCNE1 982/4885CDK2 44/4885

“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.