SCHEMBL807457

SCHEMBL807457

O=C1NCCc2sc3ccccc3c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 5/20 0.45
MAP3K11 Q16584 5/20 0.45
NTRK1 P04629 1/20 0.42
MAP3K10 Q02779 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
PDPK1 O15530 1/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 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
Hydrochloric Acid SCHEMBL5240304 0.81 MAP3K9 (0.49) MAP3K9MAP3K11NTRK1MAP3K10MEN1
SCHEMBL15466929 0.78 PARP10 (0.45) PARP1PARP10PARP11POLBMAPT
SCHEMBL7426417 0.76 GPR3 (0.40) MAP3K9MAP3K11MEN1KMT2AKDM4E
SCHEMBL17023616 0.75 GPR3 (0.43) MAP3K9MAP3K11NTRK1MAP3K10MEN1
SCHEMBL1393376 0.73 CDK1 (0.50) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL6652104 0.68 CDK1 (0.58) NTRK1MEN1KMT2AKDM4ECYP1A2
SCHEMBL10799806 0.68 PARP1 (0.45) MAP3K9MAP3K11KDM4EPARP1GPR3
SCHEMBL13600308 0.68 GPR3 (0.52) MAP3K9MAP3K11MEN1KMT2AKDM4E
SCHEMBL25294084 0.67 DRD2 (0.45) KDM4EMAPTGPR3
SCHEMBL30439522 0.67 DRD2 (0.45) KDM4EMAPTGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-4985422-A TRICYCLIC, IMIDAZOLE SUBSTITUTED, ANTAGONIST OF HYDROXYTRYPTAMINE RECEPTORS, PSYCHOTIC DISORDERS, SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 1991-01-15 US disclosed
EP-0339959-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-11-02 EP 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 MAP3K9 2801/4885MAP3K11 2558/4885NTRK1 3514/4885

“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.