SCHEMBL3266933

SCHEMBL3266933

NC(=O)c1ccc(NC2CC2)c(-c2ccccc2)c1-c1ccc2cnncc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
CHEK1 O14757 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
SYK P43405 2/20 0.38
HSP90AB1 P08238 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
SCHEMBL3266930 0.80 HSP90AA1 (0.45) HSP90AA1
SCHEMBL3037607 0.76 KDM4E (0.40) JAK2
SCHEMBL3040082 0.76 KDM4E (0.47)
SCHEMBL3035393 0.73 PARP1 (0.48)
SCHEMBL3035398 0.73 BCAT2 (0.50)
SCHEMBL28565741 0.69 HSP90AA1 (0.74) HSP90AA1MAPK8MAPK9ADORA2AADORA2B
SCHEMBL28565743 0.69 HSP90AA1 (0.74) HSP90AA1MAPK8MAPK9ADORA2AADORA2B
SCHEMBL28570555 0.68 HSP90AA1 (0.69) HSP90AA1MAPK8MAPK9ADORA2AADORA2B
SCHEMBL28570557 0.68 HSP90AA1 (0.69) HSP90AA1MAPK8MAPK9ADORA2AADORA2B
SCHEMBL4232113 0.67 BCAT2 (0.54) CHEK1

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-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 HSP90AA1 1284/4885JAK2 35/4885JAK1 45/4885

“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.