SCHEMBL3537607

SCHEMBL3537607

Nc1nc(N)c2nc(Br)cnc2n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.55
PIK3CG P48736 4/20 0.51
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NOS1 P29475 1/20 0.44
DHFR P00374 3/20 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
Isopropyl Alcohol SCHEMBL8447050 0.88 PIK3CG (0.47) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3692533 0.81 ADORA2A (0.57) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3660280 0.78 ADORA2A (0.53) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL63822 0.78 ADORA2A (0.53) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL30965441 0.78 ADORA2A (0.53) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL11471050 0.77 ADORA2A (0.48) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL31143797 0.77 NOS1 (0.54) NOS1DHFR
SCHEMBL30435493 0.77 NOS1 (0.54) NOS1DHFR
SCHEMBL64146 0.77 NOS1 (0.54) NOS1DHFR
Bromide SCHEMBL11633687 0.76 ADORA2A (0.52) ADORA2APIK3CGPIK3CAPIK3CBHDAC6

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-7691858-B2 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2010-04-06 US disclosed
US-7691858-B2 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2010-04-06 US disclosed
US-7691858-B2 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2010-04-06 US disclosed
WO-2007127366-A2 KINASE INHIBITORS AND METHODS OF USE THEREOF TARGEGEN, INC. (US) 2007-11-08 WO disclosed
US-20070259876-A1 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070259876-A1 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070259876-A1 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2007-11-08 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-20070259876-A1 Kinase inhibitors and methods of use thereof ROCK1, ADCK1, MAP3K20 ADORA2A 803/4885PIK3CG 180/4885PIK3CA 163/4885

“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.