SCHEMBL10166419

SCHEMBL10166419

O=C(NCC1CCCO1)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 11/20 0.50
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
CYP1A2 P05177 2/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
PSMD14 O00487 1/20 0.48
STAMBP O95630 1/20 0.48
COPS5 Q92905 1/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL2258173 1.00 KMT2A (0.54) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL559679 1.00 KMT2A (0.54) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL10166431 0.97 MEN1 (0.50) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL2262518 0.97 MEN1 (0.50) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL559448 0.97 MEN1 (0.50) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL10166423 0.88 MAPK1 (0.44) NPC1RAB9A
SCHEMBL559677 0.88 MAPK1 (0.44) NPC1RAB9A
SCHEMBL2259647 0.88 MAPK1 (0.44) NPC1RAB9A
SCHEMBL2257569 0.86 MAPK1 (0.46)
SCHEMBL558837 0.86 MAPK1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
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
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 (2 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KMT2A 1703/4885MEN1 2633/4885HPGD 2227/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KMT2A 1703/4885MEN1 2633/4885HPGD 2227/4885

“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.