SCHEMBL6744700

SCHEMBL6744700

COc1c(C=NNC(=N)N)cc(C)cc1C=NNC(=N)N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
USP2 O75604 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
KDM4E B2RXH2 4/20 0.40
LMNA P02545 6/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ALOX12 P18054 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6744695 1.00 MAPT (0.49) MAPTKMT2AGAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL6744785 0.98 MAPT (0.48) MAPTKMT2AGAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL6744777 0.98 MAPT (0.48) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL6741895 0.82 ALDH1A1 (0.71) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL6742898 0.82 ALDH1A1 (0.71) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL7743087 0.82 PARP1 (0.48) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL7743089 0.82 PARP1 (0.48) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL16993672 0.79 KDM4E (0.57) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL16993673 0.79 KDM4E (0.57) MAPTKMT2AGAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL5703109 0.77 KDM4E (0.56) MAPTKMT2AGAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 US claimed
US-6689777-B2 DEPOLYMERIZING HEMOZOIN USING 2-IMINO-NAPHTHO(1,2-D)THIAZOL-5-OL DERIVATIVES KENNETH S. WARREN INSTITUTE 2004-02-10 US disclosed
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 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-20030186993-A1 Anti-malarial compounds, compositions and methods TYR, CRYZ, RHOT2 MAPT 309/4885KMT2A 2497/4885GAA 260/4885

“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.