SCHEMBL2258034

SCHEMBL2258034

Cc1cc(NC(=O)c2cccc3cnc(NC4CCC(O)CC4)nc23)n(-c2ccccn2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK10 P53779 6/20 0.47
▸ JUN P05412 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ MAPK8 P45983 5/20 0.42
▸ MAPK9 P45984 5/20 0.42
▸ IRAK4 Q9NWZ3 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ IRAK1 P51617 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNA2 P20248 1/20 0.39

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
SCHEMBL559434 1.00 KMT2A (0.48) KMT2AMEN1LMNANPSR1TSHR
SCHEMBL2258186 0.83 MAPK10 (0.50) MAPK10JUNMAPK8MAPK9IRAK4
SCHEMBL2258190 0.83 MAPK10 (0.50) MAPK10JUNMAPK8MAPK9IRAK4
SCHEMBL558797 0.80 MAPK10 (0.50) KMT2AMEN1MAPK10JUNMAPK8
SCHEMBL2259620 0.80 MAPK10 (0.50) KMT2AMEN1MAPK10JUNMAPK8
SCHEMBL558248 0.80 MAPK10 (0.58) KMT2AMEN1MAPK10JUNMAPK8
SCHEMBL2257727 0.80 MAPK10 (0.58) KMT2AMEN1MAPK10JUNMAPK8
SCHEMBL2255188 0.79 MAPK10 (0.49) MAPK10JUNMAPK8MAPK9IRAK4
SCHEMBL560268 0.79 MAPK10 (0.49) MAPK10JUNMAPK8MAPK9IRAK4
SCHEMBL2259812 0.77 MAPK10 (0.47) MAPK10JUNMAPK8MAPK9IRAK4

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-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — 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-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KMT2A 1703/4885MEN1 2633/4885LMNA 3558/4885

“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.

Send feedback