SCHEMBL10217403

SCHEMBL10217403

c1ccc(-c2nnc(Cc3cccnc3)c3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
FLT1 P17948 3/20 0.53
GPR84 Q9NQS5 2/20 0.51
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PDGFRB P09619 2/20 0.44
KDR P35968 2/20 0.44
KIT P10721 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL10217415 0.85 MEN1 (0.47) MEN1KMT2AFLT1GPR84NPSR1
SCHEMBL10217412 0.83 FLT1 (0.60) MEN1KMT2AFLT1NPSR1CYP11B1
SCHEMBL7670317 0.79 FLT1 (0.55) MEN1KMT2AFLT1GAAMAPK1
SCHEMBL5332250 0.79 FLT1 (0.62) MEN1KMT2AFLT1GAAMAPK1
SCHEMBL580901 0.76 NPSR1 (0.49) MEN1KMT2AFLT1GAANPSR1
SCHEMBL15761431 0.75 PDE4A (0.41) MEN1KMT2AFLT1NPSR1MAPT
SCHEMBL9807642 0.73 CYP19A1 (0.54) MEN1KMT2AFLT1GAAMAPK1
SCHEMBL580885 0.72 KDR (0.62) NPSR1MAPTKDRALDH1A1LMNA
SCHEMBL15763289 0.72 HRH3 (0.51) CYP11B1CYP11B2CYP3A4PDE4APDE4B
SCHEMBL10217414 0.72 MEN1 (0.41) MEN1KMT2AFLT1NPSR1MAPT

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
US-9394290-B2 Selective CYP11B1 inhibitors for the treatment of cortisol dependent diseases UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN (DE) 2016-07-19 US disclosed
US-9394290-B2 Selective CYP11B1 inhibitors for the treatment of cortisol dependent diseases UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN (DE) 2016-07-19 US disclosed
US-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2014-06-05 US disclosed
US-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2014-06-05 US disclosed
WO-2012052540-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2012-04-26 WO 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-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES HSD11B1, CYP11B1, HSD11B2 MEN1 397/4885KMT2A 2768/4885FLT1 3120/4885

“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.