SCHEMBL4077942

SCHEMBL4077942

C#Cc1cccc(-c2nc(N)c3ccc(N)cc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.46
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
DHFR P00374 3/20 0.39
ADORA2A P29274 7/20 0.38
ADORA1 P30542 5/20 0.38
CYP1A2 P05177 5/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAP4K4 O95819 1/20 0.38
MDM4 O15151 1/20 0.38
CYP1A1 P04798 4/20 0.38
CYP1B1 Q16678 4/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL2253014 0.89 ABCG2 (0.49) ABCG2KDM4EMEN1ALDH1A1LMNA
SCHEMBL7662098 0.82 IDO1 (0.42) ABCG2MEN1ALDH1A1KMT2AHPGD
Hydrochloric Acid SCHEMBL7652459 0.81 IDO1 (0.41) ABCG2MEN1ALDH1A1KMT2AHPGD
SCHEMBL869532 0.79 ABCG2 (0.42) ABCG2KDM4EMEN1ALDH1A1LMNA
SCHEMBL691586 0.78 ADORA2A (0.42) ABCG2KDM4EMEN1ALDH1A1LMNA
SCHEMBL642249 0.78 ADORA2A (0.46) ABCG2KDM4EMEN1ALDH1A1LMNA
SCHEMBL27819271 0.75 ADORA2A (0.46) ABCG2KDM4EMEN1ALDH1A1LMNA
SCHEMBL29493193 0.74 EGFR (0.52) ABCG2ALDH1A1LMNAMAPTADORA2A
SCHEMBL1979453 0.74 EGFR (0.52) ABCG2ALDH1A1LMNAMAPTADORA2A
Hydrochloric Acid SCHEMBL2839910 0.74 EGFR (0.38) ABCG2MEN1ALDH1A1LMNAMAPT

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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 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 (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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 ABCG2 3562/4885KDM4E 985/4885MEN1 2479/4885

“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.