SCHEMBL3720231

SCHEMBL3720231

COc1ccc(CN(C)CCO)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
BLM P54132 2/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 5/20 0.43
OPRK1 P41145 1/20 0.43
PMP22 Q01453 1/20 0.43
OPRM1 P35372 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
TLR8 Q9NR97 1/20 0.42
AOC3 Q16853 1/20 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
SCHEMBL8836555 0.82 CYP1A2 (0.69) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4528153 0.80 GAA (0.67) GAAMEN1KMT2ACYP3A4CYP1A2
Hydrochloric Acid SCHEMBL5913154 0.79 GAA (0.65) GAAMEN1KMT2ACYP3A4CYP1A2
SCHEMBL29684152 0.78 GAA (0.54) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL22412170 0.78 GAA (0.54) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL22425992 0.77 GAA (0.54) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL687841 0.77 GAA (0.67) GAAMEN1KMT2AKDM4ECYP3A4
SCHEMBL7960394 0.77 CHRM2 (0.45) GAAMEN1KMT2ABCHEACHE
SCHEMBL2888639 0.77 GAA (0.71) GAAMEN1KMT2AKDM4ECYP3A4
SCHEMBL3720077 0.76 SMN1; SMN2 (0.77) GAAMEN1KMT2ASMN1; SMN2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
CN-102459264-A Pyrimidine inhibitors of kinase activity ABBOTT LAB 2012-05-16 CN disclosed
CN-102459265-A Pyrimidine inhibitors of kinase activity ABBOTT LAB 2012-05-16 CN disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 GAA 2513/4885MEN1 1443/4885KMT2A 2161/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 GAA 2232/4885MEN1 945/4885KMT2A 2972/4885

“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.