SCHEMBL3101175

SCHEMBL3101175

O=C(O)c1ccnn(-c2ccccn2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
KDM5A P29375 5/20 0.43
KDM4C Q9H3R0 5/20 0.43
KDM5B Q9UGL1 5/20 0.43
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
MYC P01106 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
SCHEMBL13115700 0.82 NPC1 (0.41) HPGDNPC1TP53RAB9AKDM4E
SCHEMBL5717721 0.80 MAPT (0.47) NPC1RAB9AKDM4EL3MBTL1LMNA
SCHEMBL12560844 0.79 HPGD (0.51) HPGDNPC1TP53RAB9ALMNA
SCHEMBL4666204 0.79 ALKBH2 (0.50) ALKBH2EGLN1KDM5AKDM4CKDM5B
SCHEMBL29912643 0.79 ALKBH2 (0.50) ALKBH2EGLN1KDM5AKDM4CKDM5B
SCHEMBL18453672 0.76 OXTR (0.48) HPGDRAB9AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL30367555 0.75 TYK2 (0.50) ALKBH2EGLN1KDM4EL3MBTL1LMNA
SCHEMBL4814573 0.75 TYK2 (0.50) ALKBH2EGLN1KDM4EL3MBTL1LMNA
SCHEMBL6345006 0.75 OXTR (0.45) ALKBH2EGLN1HPGDKDM4EL3MBTL1
SCHEMBL1334274 0.74 ALKBH1 (0.52) ALKBH2EGLN1HPGDNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 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 (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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 ALKBH2 4876/4885EGLN1 3987/4885KDM5A 4829/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 ALKBH2 4876/4885EGLN1 3987/4885KDM5A 4829/4885

“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.