SCHEMBL15033730

SCHEMBL15033730

Cc1c(Nc2cccc(C(F)(F)F)c2)nc(C2CC2)nc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
GMNN O75496 1/20 0.49
TTR P02766 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
UGT1A1 P22309 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
PMP22 Q01453 1/20 0.49
DHODH Q02127 1/20 0.49
TEAD4 Q15561 1/20 0.49
HIF1A Q16665 1/20 0.49
GPR35 Q9HC97 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL15033805 0.84 SYK (0.58) LMNAMEN1ALDH1A1KMT2AGMNN
SCHEMBL15033667 0.81 LMNA (0.58) LMNAMEN1ALDH1A1KMT2AGMNN
SCHEMBL15033697 0.78 ADORA3 (0.42) LMNAMEN1KMT2ACYP1A2DHODH
SCHEMBL14306362 0.78 LMNA (0.58) LMNAMEN1ALDH1A1KMT2AGMNN
SCHEMBL16257524 0.77 CCR2 (0.61)
SCHEMBL16257556 0.77 CCR2 (0.61)
SCHEMBL15033726 0.74 CCR2 (0.41) LMNAMEN1ALDH1A1KMT2AIDH2
SCHEMBL17278071 0.74 CCR2 (0.41) LMNAMEN1ALDH1A1KMT2AIDH2
SCHEMBL10036894 0.72 LMNA (0.60) LMNAMEN1ALDH1A1KMT2AGMNN
SCHEMBL14998525 0.72 MPO (0.49) LMNAMEN1ALDH1A1KMT2AGMNN

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-2721025-B1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-8946218-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
EP-2569295-B1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS CCR2, CCRL2, CXCR2 LMNA 4785/4885MEN1 4880/4885ALDH1A1 2809/4885

“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.