SCHEMBL3563747

SCHEMBL3563747

O/N=C/c1c[nH]c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
AXL P30530 1/20 0.50
CHEK1 O14757 2/20 0.49
GPR84 Q9NQS5 1/20 0.49
HASPIN Q8TF76 4/20 0.47
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
LRRK2 Q5S007 1/20 0.46
MAP2K1 Q02750 1/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CDC7 O00311 2/20 0.43
MET P08581 1/20 0.43
CAMKK2 Q96RR4 2/20 0.42
PDPK1 O15530 1/20 0.42
TGFBR1 P36897 1/20 0.42

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
SCHEMBL3563749 1.00 KMT2A (0.63) KMT2AHPGDHTTAXLCHEK1
SCHEMBL12523941 0.78 KMT2A (0.56) KMT2AAXLCHEK1GPR84HASPIN
SCHEMBL15418019 0.78 KMT2A (0.56) KMT2AAXLCHEK1GPR84HASPIN
SCHEMBL29768778 0.77 KMT2A (1.00) KMT2AAXLCHEK1GPR84HASPIN
SCHEMBL30165674 0.77 KMT2A (0.69) KMT2AAXLCHEK1GPR84HASPIN
SCHEMBL29768777 0.77 KMT2A (1.00) KMT2AAXLCHEK1GPR84HASPIN
SCHEMBL1772824 0.77 KMT2A (0.69) KMT2AAXLCHEK1GPR84HASPIN
SCHEMBL257134 0.77 KMT2A (1.00) KMT2AAXLCHEK1GPR84HASPIN
SCHEMBL17875019 0.77 KMT2A (0.69) KMT2AAXLCHEK1GPR84HASPIN
SCHEMBL28322044 0.77 KMT2A (0.69) KMT2AAXLCHEK1GPR84HASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010037-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS VERNALIS (R&D) LTD. (GB) 2010-01-14 US disclosed
US-20100010037-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS VERNALIS (R&D) LTD. (GB) 2010-01-14 US disclosed
US-20100010037-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS VERNALIS (R&D) LTD. (GB) 2010-01-14 US disclosed
WO-2008025947-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS VERNALIS (R & D) LTD. (GB) 2008-03-06 WO 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-20100010037-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P KMT2A 2173/4885HPGD 2542/4885HTT 858/4885

“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.