Valine

Valine

SCHEMBL18860660

Brc1cnc2[nH]cc(I)c2c1.CC(C)[C@H](N)C(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.44
PLK4 O00444 2/20 0.44
AURKA O14965 2/20 0.44
ROCK2 O75116 2/20 0.44
PRKD3 O94806 2/20 0.44
INSR P06213 2/20 0.44
CDK1 P06493 2/20 0.44
FES P07332 2/20 0.44
ROS1 P08922 2/20 0.44
FGFR1 P11362 2/20 0.44
PHKG2 P15735 2/20 0.44
FER P16591 2/20 0.44
FLT1 P17948 2/20 0.44
CDK2 P24941 2/20 0.44
MARK3 P27448 2/20 0.44
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
FLT3 P36888 2/20 0.44
FRK P42685 2/20 0.44
SYK P43405 2/20 0.44

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
SCHEMBL68662 0.80 DYRK1A (0.58) DYRK1APLK4AURKAROCK2PRKD3
Ammonia Solution, Strong SCHEMBL27874537 0.78 DYRK1A (0.57) DYRK1APLK4AURKAROCK2PRKD3
SCHEMBL27678709 0.70 DYRK1A (0.44) DYRK1APLK4AURKAROCK2PRKD3
SCHEMBL24144842 0.70 JAK3 (0.44) DYRK1APLK4AURKAROCK2PRKD3
SCHEMBL4828101 0.70 AURKA (0.54) DYRK1APLK4AURKAROCK2PRKD3
SCHEMBL20292915 0.68 AXL (0.48) DYRK1APLK4AURKAROCK2PRKD3
SCHEMBL28089638 0.68 JAK3 (0.49) DYRK1APLK4AURKAROCK2PRKD3
SCHEMBL1516568 0.67 DYRK1A (0.48) DYRK1APLK4AURKAROCK2PRKD3
SCHEMBL15882691 0.67 DYRK1A (0.48) DYRK1APLK4AURKAROCK2PRKD3
SCHEMBL15882584 0.67 AURKA (0.50) DYRK1APLK4AURKAROCK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-07-25 US disclosed
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2021-07-22 US disclosed
US-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2021-05-04 US disclosed
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2020-09-10 US disclosed
EP-3377491-B1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2019-11-13 EP disclosed
EP-3377491-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2018-09-26 EP disclosed
EP-3170822-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2017-05-24 EP 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-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 DYRK1A 595/4885PLK4 517/4885AURKA 673/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 DYRK1A 438/4885PLK4 711/4885AURKA 311/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 DYRK1A 438/4885PLK4 711/4885AURKA 311/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 DYRK1A 595/4885PLK4 517/4885AURKA 673/4885

“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.