SCHEMBL3633864

SCHEMBL3633864

CNCc1cc2ccccc2cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2A6 P11509 3/20 0.48
CYP1A2 P05177 1/20 0.48
PDE10A Q9Y233 3/20 0.44
PDPK1 O15530 1/20 0.44
ADRB2 P07550 1/20 0.41
CD274 Q9NZQ7 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CHEK1 O14757 1/20 0.38
SLC6A4 P31645 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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 0.84 ATM (0.50) ATML3MBTL1CYP2A6CYP1A2PDE10A
SCHEMBL3636909 0.81 CYP1A2 (0.46) ATML3MBTL1CYP2A6CYP1A2PDE10A
SCHEMBL6705337 0.81 ATM (0.47) ATML3MBTL1CYP2A6CYP1A2PDE10A
SCHEMBL3641019 0.80 CYP2A6 (0.43) ATML3MBTL1CYP2A6CYP1A2PIK3CD
SCHEMBL3636095 0.80 CYP2A6 (0.45) ATML3MBTL1CYP2A6CYP1A2CD274
SCHEMBL3634029 0.80 ATM (0.47) ATML3MBTL1CYP2A6CYP1A2PDE10A
SCHEMBL3637748 0.79 L3MBTL1 (0.43) L3MBTL1CYP2A6CYP1A2PIK3CDPIK3CA
SCHEMBL3642128 0.79 KDM4E (0.43) CYP2A6SLC6A4HTR2AHTR2CKDM4E
SCHEMBL3641870 0.79 KDM4E (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3636113 0.79 CASP3 (0.43) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014687-A1 Macrolide antibacterial compounds ABBOTT LABORATORIES 2004-01-22 US claimed
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 EP disclosed
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
US-20040014687-A1 Macrolide antibacterial compounds ABBOTT LABORATORIES 2004-01-22 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 (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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 ATM 3594/4885L3MBTL1 1803/4885CYP2A6 359/4885
US-20040014687-A1 Macrolide antibacterial compounds MRPL21, NOP2, PIGS ATM 4352/4885L3MBTL1 353/4885CYP2A6 122/4885

“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.