SCHEMBL3636909

SCHEMBL3636909

CCNCc1cc2ccccc2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE10A Q9Y233 3/20 0.43
PDPK1 O15530 1/20 0.41
CCR4 P51679 1/20 0.40
TLR7 Q9NYK1 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
IDH1 O75874 1/20 0.36
HTR3A P46098 1/20 0.36
MAPK1 P28482 1/20 0.35
PLAU P00749 1/20 0.35
HTR1B P28222 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL13796417 0.89 ATM (0.50) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL3633864 0.81 ATM (0.51) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL6114924 0.79 ATM (0.57) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL873512 0.79 CYP1A2 (0.54) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL3641581 0.78 ATM (0.45) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL3638874 0.78 ATM (0.42) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL6705337 0.78 ATM (0.47) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL3634029 0.77 ATM (0.47) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL2314292 0.77 EGLN1 (0.48) CYP1A2ATML3MBTL1MAPK1KDM4E
SCHEMBL13877431 0.77 CYP2D6 (0.44) CYP1A2CYP2A6ATML3MBTL1PDPK1

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 CYP1A2 258/4885CYP2A6 359/4885ATM 3594/4885

“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.