SCHEMBL1101918

SCHEMBL1101918

CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 1.00
▸ MAPK1 P28482 1/20 0.74
▸ ALDH1A1 P00352 7/20 0.64
▸ MAPT P10636 6/20 0.64
▸ NPSR1 Q6W5P4 3/20 0.64
▸ HPGD P15428 3/20 0.64
▸ TP53 P04637 2/20 0.64
▸ MAT2A P31153 1/20 0.61
▸ GAA P10253 4/20 0.57
▸ CYP2C9 P11712 1/20 0.56
▸ LMNA P02545 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ USP2 O75604 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ RAD52 P43351 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL20203648 0.80 KDM4E (0.67) KDM4EMAPK1ALDH1A1MAPTNPSR1
SCHEMBL3486508 0.79 KDM4E (0.74) KDM4EMAPK1ALDH1A1MAPTNPSR1
SCHEMBL3486575 0.79 KDM4E (0.71) KDM4EMAPK1ALDH1A1MAPTNPSR1
SCHEMBL13585302 0.78 MAPK1 (0.65) KDM4EMAPK1ALDH1A1MAPTNPSR1
SCHEMBL24108921 0.76 MAPT (0.61) KDM4EMAPK1ALDH1A1MAPTNPSR1
SCHEMBL8925803 0.76 HSP90AB1 (0.75) KDM4EMAPK1ALDH1A1MAPTNPSR1
SCHEMBL13585102 0.76 KDM4E (0.62) KDM4EMAPK1ALDH1A1MAPTNPSR1
SCHEMBL22750952 0.76 KDM4E (0.66) KDM4EMAPK1ALDH1A1MAPTNPSR1
SCHEMBL23269354 0.74 KDM4E (0.69) KDM4EMAPK1ALDH1A1MAPTNPSR1
SCHEMBL24108924 0.74 KDM4E (0.61) KDM4EMAPK1ALDH1A1MAPTNPSR1

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 15 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-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 — — US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — 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-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-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 (4 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885MAPK1 4096/4885ALDH1A1 2811/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885MAPK1 4096/4885ALDH1A1 2811/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885MAPK1 4096/4885ALDH1A1 2811/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885MAPK1 4096/4885ALDH1A1 2811/4885

“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.

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