SCHEMBL1101909

SCHEMBL1101909

CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.72
PTGS2 P35354 6/20 0.66
HTR6 P50406 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.64
PDE7A Q13946 4/20 0.60
PDE7B Q9NP56 2/20 0.60
PDE4A P27815 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
TSHR P16473 2/20 0.57
CYP2C19 P33261 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL19487245 0.90 LMNA (0.77) LMNAPTGS2SMN1; SMN2PDE7APDE7B
SCHEMBL9972171 0.87 LMNA (0.74) LMNASMN1; SMN2PDE7APDE7BPDE4A
SCHEMBL1101917 0.86 LMNA (0.72) LMNAPTGS2SMN1; SMN2PDE7APDE7B
SCHEMBL4391482 0.81 MAPK1 (0.70) LMNASMN1; SMN2KMT2ANPSR1CYP1A2
SCHEMBL5030398 0.78 MAPT (0.67) LMNASMN1; SMN2PDE7APDE7BPDE4A
SCHEMBL16291369 0.77 PDE7A (0.70) LMNAPTGS2SMN1; SMN2PDE7APDE7B
SCHEMBL4394311 0.76 PDE10A (0.63) LMNAPTGS2HTR6SMN1; SMN2KMT2A
SCHEMBL4756566 0.75 SMN1; SMN2 (0.44) LMNAHTR6SMN1; SMN2KMT2ANPSR1
SCHEMBL5524904 0.75 PDE7A (1.00) LMNAPDE7APDE7BPDE4APDE4B
SCHEMBL3424745 0.75 PDE10A (0.62) LMNAPTGS2HTR6SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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 (3 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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 LMNA 1374/4885PTGS2 1062/4885HTR6 1452/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 LMNA 1374/4885PTGS2 1062/4885HTR6 1452/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 LMNA 1374/4885PTGS2 1062/4885HTR6 1452/4885

“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.