SCHEMBL3538668

SCHEMBL3538668

Nc1cncc2nccnc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
AOC1 P19801 2/20 0.31
AOC3 Q16853 2/20 0.31
NCF1 P14598 1/20 0.31
ADORA2A P29274 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20296322 0.71 MAPK1 (0.35) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL27110121 0.71 PSMD14 (0.31) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL10273606 0.71 CCR1 (0.34) HSP90AA1KDM4EMEN1USP2ALDH1A1
SCHEMBL3246251 0.71 CDC7 (0.35) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL1062528 0.67 HSP90AA1 (0.52) HSP90AA1NCF1KDM4EMEN1ALDH1A1
SCHEMBL19655732 0.67
SCHEMBL14154763 0.67 NOS3 (0.34)
SCHEMBL15745718 0.67
SCHEMBL20172095 0.67 HSP90AA1 (0.48) HSP90AA1KDM4EMEN1ALDH1A1MAPT
SCHEMBL12338376 0.67 LMNA (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7691858-B2 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2010-04-06 US disclosed
US-20070259876-A1 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20050282814-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2005-12-22 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 (3 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 HSP90AA1 1884/4885AOC1 2871/4885AOC3 4044/4885
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof RBP1, RBP4, VCAM1 HSP90AA1 1494/4885AOC1 1612/4885AOC3 3445/4885
US-20050282814-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 HSP90AA1 1494/4885AOC1 1612/4885AOC3 3445/4885

“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.