SCHEMBL3147605

SCHEMBL3147605

[CH2]c1ccnc2ccncc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.39
CDK8 P49336 5/20 0.39
SLC22A12 Q96S37 1/20 0.39
EGFR P00533 5/20 0.36
PIK3CA P42336 1/20 0.36
NFATC1 O95644 1/20 0.36
DYRK1A Q13627 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK10 P53779 3/20 0.34
NCF1 P14598 1/20 0.33
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32

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
SCHEMBL8461 0.74 GAA (0.45) CCNCCDK8SLC22A12EGFRPIK3CA
SCHEMBL18574397 0.74 CCNC (0.39) CCNCCDK8SLC22A12EGFRPIK3CA
SCHEMBL3577754 0.74 AXL (0.47) CCNCCDK8SLC22A12EGFRPIK3CA
SCHEMBL16247883 0.74 DYRK1A (0.39) CCNCCDK8SLC22A12EGFRPIK3CA
SCHEMBL2879912 0.74 NCF1 (0.57) CCNCCDK8SLC22A12EGFRDYRK1A
SCHEMBL277031 0.74 EP300 (0.47) CCNCCDK8SLC22A12EGFRPIK3CA
SCHEMBL3147611 0.74 CCR1 (0.46) CCNCCDK8SLC22A12EGFRPIK3CA
SCHEMBL2008208 0.74 CCNC (0.39) CCNCCDK8SLC22A12EGFRPIK3CA
SCHEMBL277030 0.74 SLC22A12 (0.42) CCNCCDK8SLC22A12EGFRPIK3CA
SCHEMBL2008619 0.74 CCR1 (0.52) CCNCCDK8SLC22A12PIK3CAKDM4E

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 4 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
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 CCNC 2702/4885CDK8 3317/4885SLC22A12 2211/4885

“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.