SCHEMBL3498007

SCHEMBL3498007

COc1ccc(-c2n[nH]c3nc(N)sc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.52
WDR5 P61964 1/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 4/20 0.48
PKM P14618 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.44
DYRK1A Q13627 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 2/20 0.42
PDGFRB P09619 2/20 0.41
KIT P10721 2/20 0.41

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
SCHEMBL3499091 0.81 ALDH1A1 (0.50) KMT2AMEN1KDM4EPKMALDH1A1
SCHEMBL3499093 0.80 MYC (0.49) MYCWDR5ADORA1
SCHEMBL3500991 0.79 MAPT (0.67) KMT2AMEN1KDM4EPKMALDH1A1
SCHEMBL13256305 0.75 GSK3B (0.56) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8067414 0.74 MAPT (0.69) MYCWDR5KMT2AMEN1KDM4E
SCHEMBL19650376 0.74 MYC (0.60) MYCWDR5KMT2AKDM4EPKM
SCHEMBL13256189 0.74 ADORA3 (0.63) KMT2AMEN1ALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL9548025 0.73 KDM4E (0.67) MYCWDR5KMT2AMEN1KDM4E
SCHEMBL558439 0.73 ALDH1A1 (0.68) MYCWDR5KMT2AKDM4EPKM
SCHEMBL19638079 0.72 MYC (0.57) MYCWDR5KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 MYC 764/4885WDR5 1623/4885KMT2A 1583/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 MYC 764/4885WDR5 1623/4885KMT2A 1583/4885

“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.