SCHEMBL4013353

SCHEMBL4013353

Nc1cc(CCc2cccc(OCC3CC3)c2)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
FFAR1 O14842 2/20 0.40
PPARD Q03181 2/20 0.40
DUT P33316 2/20 0.39
ROCK2 O75116 1/20 0.39
AKT1 P31749 5/20 0.39
LRRK2 Q5S007 1/20 0.38
IGF1R P08069 1/20 0.37

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
SCHEMBL4012249 0.79 TAAR1 (0.54)
SCHEMBL4012153 0.78 BACE1 (0.41)
SCHEMBL4012148 0.77 DHFR (0.46)
SCHEMBL4013395 0.76 DAO (0.55) KDM5AKDM4CROCK2AKT1
SCHEMBL4015943 0.75 FGFR1 (0.45) KDM5AKDM4CIGF1R
SCHEMBL2206248 0.73 TAAR1 (0.45) KDM5AKDM4CFFAR1PPARDDUT
SCHEMBL28751588 0.73 TLR4 (0.45) KDM5AKDM4CDUT
SCHEMBL8274392 0.73 CNR1 (0.45) KDM5AKDM4CDUT
SCHEMBL27752733 0.73 NOS1 (0.40) NOS3NOS1NOS2
SCHEMBL3947954 0.73 TAAR1 (0.51) NOS3NOS1

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
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 KDM5A 4673/4885KDM4C 4395/4885NOS3 1795/4885

“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.