SCHEMBL2772043

SCHEMBL2772043

COCCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1csc(N2CC[C@H](F)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4B Q07343 1/20 0.39
OPRK1 P41145 1/20 0.39
F10 P00742 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
WNT3A P56704 1/20 0.38
S1PR1 P21453 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KCNH2 Q12809 1/20 0.38
ACHE P22303 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
SCHEMBL13634661 0.93 S1PR1 (0.42) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL13638912 0.92 KMT2A (0.47) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL13270601 0.91 KMT2A (0.54) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL13638824 0.90 KMT2A (0.39) KMT2AF10
SCHEMBL2772472 0.90 KMT2A (0.49) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL13638993 0.90 IRAK4 (0.38) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL13634884 0.86 S1PR1 (0.40) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL13270448 0.86 KMT2A (0.56) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL2770473 0.86 KMT2A (0.44) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL13270650 0.86 MAPT (0.39) KMT2AMAPTTSHRMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US claimed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US claimed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP claimed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 KMT2A 1236/4885MAPT 1765/4885TSHR 1097/4885

“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.