SCHEMBL17603571

SCHEMBL17603571

N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc2nccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARHGEF12 Q9NZN5 1/20 1.00
MAPT P10636 8/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 4/20 0.51
GAA P10253 3/20 0.51
POLB P06746 3/20 0.51
HCRTR1 O43613 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
AKT1 P31749 2/20 0.50
CDC7 O00311 1/20 0.50
CHUK O15111 1/20 0.50
MAPK13 O15264 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
PRKCG P05129 1/20 0.50
PIM1 P11309 1/20 0.50
PRKACA P17612 1/20 0.50

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
SCHEMBL15936925 1.00 ARHGEF12 (1.00) ARHGEF12MAPTMEN1KMT2AHTT
SCHEMBL19665210 1.00 ARHGEF12 (1.00) ARHGEF12MAPTMEN1KMT2AHTT
SCHEMBL29372342 1.00 ARHGEF12 (1.00) ARHGEF12MAPTMEN1KMT2AHTT
SCHEMBL20175987 1.00 ARHGEF12 (1.00) ARHGEF12MAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL31717447 0.99 ARHGEF12 (0.98) ARHGEF12MAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL29557944 0.99 ARHGEF12 (0.98) ARHGEF12MAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL29557889 0.99 ARHGEF12 (0.98) ARHGEF12MAPTMEN1KMT2AHTT
SCHEMBL24863333 0.90 ARHGEF12 (0.81) ARHGEF12MAPTMEN1KMT2AHTT
SCHEMBL20180895 0.88 ARHGEF12 (0.78) ARHGEF12MAPTMEN1KMT2AHTT
SCHEMBL24863352 0.82 FAAH (0.70) ARHGEF12MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083353-A1 SMALL-MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 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 (1 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-20160083353-A1 SMALL-MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS ARHGEF1, ARHGEF2, ARHGDIB ARHGEF12 6/4885MAPT 3542/4885MEN1 2743/4885

“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.