SCHEMBL3028329

SCHEMBL3028329

COc1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
MAPT P10636 3/20 0.75
ALDH1A1 P00352 2/20 0.75
HTT P42858 2/20 0.75
POLB P06746 1/20 0.75
BRAF P15056 1/20 0.75
THRB P10828 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
LMNA P02545 1/20 0.73
ENPP3 O14638 2/20 0.69

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
SCHEMBL15783186 0.90 KDR (0.81) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL14235459 0.88 KDR (0.78) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL31060934 0.87 KDR (1.00) KDRMEN1KMT2AALDH1A1HTT
SCHEMBL3021915 0.87 KDR (1.00) KDRMEN1KMT2AALDH1A1HTT
SCHEMBL3018051 0.86 HTT (1.00) KDRMEN1KMT2AALDH1A1HTT
SCHEMBL3027890 0.86 MAPT (1.00) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL15783189 0.86 KDR (0.75) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL7912018 0.85 KDR (0.74) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL3024303 0.84 MAPT (1.00) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL2211831 0.84 MAPT (1.00) KDRMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9316633-B2 Methods for identifying inhibitors of solute transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-19 US disclosed
US-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-29 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-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS SLC2A1, SLC2A3, SLC2A8 KDR 2707/4885MEN1 1626/4885KMT2A 4412/4885

“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.