SCHEMBL3147154

SCHEMBL3147154

[CH2]c1cccc(-n2cncn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.53
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA7 P36544 1/20 0.43
GRK6 P43250 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
FBP1 P09467 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL11926858 0.86 CYP2A6 (0.62) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL2095967 0.79 CYP2A6 (0.50) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL657643 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL30797819 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL3062248 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL1788007 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL6271346 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL9454459 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL1187043 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL1077009 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
CN-101120011-A Macrolides PFIZER PROD INC (US) 2008-02-06 CN disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 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 (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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 CYP2A6 426/4885KDM4E 3426/4885ALDH1A1 3275/4885

“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.