SCHEMBL2810069

SCHEMBL2810069

COc1cccc(OC)c1-c1cc(N)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.50
HSP90AB1 P08238 2/20 0.50
ASIC3 Q9UHC3 1/20 0.49
MCHR1 Q99705 1/20 0.41
EGFR P00533 2/20 0.41
CHRNA7 P36544 1/20 0.40
ALDH1A1 P00352 3/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
KMO O15229 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP4K1 Q92918 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1850468 0.89 MAP4K1 (0.52) HSP90AA1HSP90AB1ASIC3ALDH1A1USP2
SCHEMBL30507282 0.81 CYP1A2 (0.58) HSP90AA1HSP90AB1ASIC3CHRNA7ALDH1A1
SCHEMBL1849244 0.81 CYP1A2 (0.58) HSP90AA1HSP90AB1ASIC3CHRNA7ALDH1A1
Hydrochloric Acid SCHEMBL2809031 0.80 CYP1A2 (0.57) HSP90AA1HSP90AB1ASIC3CHRNA7ALDH1A1
SCHEMBL3952084 0.76 HSP90AA1 (0.71) HSP90AA1HSP90AB1MCHR1CHRNA7ALDH1A1
SCHEMBL1849403 0.74 USP2 (0.51) ASIC3CHRNA7ALDH1A1USP2CYP1A2
SCHEMBL2812677 0.74 ALDH1A1 (0.51) EGFRCHRNA7ALDH1A1USP2CYP1A2
SCHEMBL558582 0.73 ASIC3 (0.59) ASIC3EGFRALDH1A1USP2CYP1A2
SCHEMBL2808407 0.73 CDK9 (0.58) ALDH1A1USP2CYP1A2CYP2C19CLK4
SCHEMBL28262348 0.73 CYP1A2 (0.50) HSP90AA1HSP90AB1CHRNA7ALDH1A1USP2

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-20150038516-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-02-05 US disclosed
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US disclosed
US-20100249149-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2010-09-30 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-20100249149-A1 Inhibitors of Protein Kinases CDK9, CDK19, CDK2 HSP90AA1 1225/4885HSP90AB1 1092/4885ASIC3 4447/4885
US-20150038516-A1 Inhibitors of Protein Kinases CDK1, CDK2, CCNK HSP90AA1 779/4885HSP90AB1 1048/4885ASIC3 4194/4885

“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.