SCHEMBL3579602

SCHEMBL3579602

C#Cc1ccc2cccc(CNC(=O)N3CCC[C@H]3C(=O)NCCc3ccncc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
FKBP1A P62942 4/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TACR1 P25103 1/20 0.40
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3578218 0.93 POLB (0.54) POLBFKBP1AMEN1KMT2ACYP3A4
SCHEMBL3574125 0.92 POLB (0.47) POLBFKBP1AMEN1KMT2AATM
SCHEMBL3576515 0.88 MEN1 (0.55) POLBFKBP1AMEN1KMT2AATM
SCHEMBL3579963 0.86 POLB (0.52) POLBFKBP1AMEN1KMT2ACYP3A4
SCHEMBL3576203 0.85 POLB (0.46) POLBFKBP1AMEN1KMT2ACYP3A4
SCHEMBL3580912 0.85 POLB (0.46) POLBFKBP1AMEN1KMT2ACYP3A4
SCHEMBL3575319 0.83 POLB (0.49) POLBFKBP1AMEN1KMT2ACYP3A4
SCHEMBL3575490 0.83 POLB (0.45) POLBFKBP1AMEN1KMT2ACYP3A4
SCHEMBL3574503 0.83 POLB (0.48) POLBFKBP1AMEN1KMT2ACYP3A4
SCHEMBL3574501 0.83 POLB (0.48) POLBFKBP1AMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130028843-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8309596-B2 Kallikrein 7 modulators NOVARTIS AG (CH) 2012-11-13 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 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-20130028843-A1 KALLIKREIN 7 MODULATORS KLK7, KLK5, KLKB1 POLB 4716/4885FKBP1A 2112/4885MEN1 921/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 POLB 4716/4885FKBP1A 2112/4885MEN1 921/4885

“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.