SCHEMBL13617610

SCHEMBL13617610

O=C(NC1CCNCC1)c1cn2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TEAD1 P28347 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SUV39H2 Q9H5I1 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ PRKAA2 P54646 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ UTS2R Q9UKP6 1/20 0.37
▸ BCL9 O00512 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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 SCHEMBL4347263 0.99 SCN9A (0.42) SCN9AKDM4ESMN1; SMN2HSD17B10TEAD1
SCHEMBL14649237 0.89 KDM4E (0.47) KDM4ESMN1; SMN2HSD17B10ALDH1A1SUV39H2
SCHEMBL4354125 0.86 GPR119 (0.46) KDM4ESMN1; SMN2HSD17B10SUV39H2PRKAA2
Hydrochloric Acid SCHEMBL14633785 0.86 SCN9A (0.43) SCN9AKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL2509796 0.86 KDM4E (0.52) KDM4ESMN1; SMN2HSD17B10TEAD1PRKAA2
SCHEMBL4341625 0.84 PRKAA2 (0.52) KDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL12226741 0.78 PRKAA2 (0.45) SCN9ATEAD1PRKAA2BCL9CTNNB1
SCHEMBL647679 0.78 SLC6A4 (0.46) SCN9AKDM4EHSD17B10TEAD1ALDH1A1
SCHEMBL2507541 0.77 SCN9A (0.44) SCN9ATEAD1PRKAA2UTS2RBCL9
SCHEMBL4350210 0.77 MAOB (0.48) SCN9ATEAD1UTS2RBCL9CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 — — US disclosed
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 — — US disclosed
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-08-20 — — US disclosed
US-9062052-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-06-23 — — US disclosed
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-01-08 — — US disclosed
US-8871770-B2 Carboxamide compounds and methods for using the same MIDCAP FINANCIAL TRUST 2014-10-28 — — US disclosed
US-8785449-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
US-20140148467-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2014-05-29 — — US disclosed
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2013-01-24 — — US disclosed
US-8314107-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 — — US disclosed
US-8314107-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 — — US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 — — US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 — — 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 (6 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-20140148467-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885

“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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