SCHEMBL3634029

SCHEMBL3634029

CC(C)NCc1cc2ccccc2cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
PDPK1 O15530 1/20 0.40
PDE10A Q9Y233 3/20 0.39
KDM4C Q9H3R0 1/20 0.38
HTR1B P28222 2/20 0.36
CYP2C9 P11712 1/20 0.36
P2RX3 P56373 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NR2E1 Q9Y466 1/20 0.36

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
SCHEMBL25206227 0.83 ATM (0.46) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3633864 0.80 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6CYP2D6
SCHEMBL13796417 0.80 ATM (0.50) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3636909 0.77 CYP1A2 (0.46) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL6705337 0.77 ATM (0.47) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3122540 0.77 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3639839 0.74 HTR2A (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL20061664 0.74 ATM (0.49) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL4372822 0.74 MAOA (0.53) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL873512 0.74 CYP1A2 (0.54) ATML3MBTL1CYP1A2CYP2A6PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 ATM 3594/4885L3MBTL1 1803/4885CYP1A2 258/4885

“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.