SCHEMBL10094635

SCHEMBL10094635

Cc1ccccc1-c1c(C)n[nH]c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.60
CHEK1 O14757 1/20 0.60
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PRNP P04156 1/20 0.43
PPARG P37231 1/20 0.43
MAPK10 P53779 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.43
METAP2 P50579 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41

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
SCHEMBL10094333 0.78 AKT2 (0.53) AKT2CHEK1KMT2ALMNAMCL1
SCHEMBL13990747 0.78 AKT2 (0.53) AKT2CHEK1ALDH1A1KDM4EKMT2A
SCHEMBL13990881 0.78 AKT2 (0.53) AKT2CHEK1KDM4EKMT2AGAA
SCHEMBL111483 0.77 CHEK1 (0.51) AKT2CHEK1ALDH1A1NPSR1PKM
SCHEMBL29253541 0.76 AKT2 (0.46) AKT2CHEK1KMT2ASMN1; SMN2MAPT
SCHEMBL1368263 0.75 MYC (0.56) AKT2CHEK1ALDH1A1KDM4EKMT2A
SCHEMBL13312231 0.75 CHEK1 (0.50) AKT2CHEK1KMT2AMAPTMEN1
SCHEMBL873114 0.75 AKT2 (1.00) AKT2CHEK1NPSR1KMT2ADYRK1A
SCHEMBL10094671 0.74 CHEK1 (0.44) AKT2CHEK1NISCH
SCHEMBL16172604 0.74 IDO1 (0.49) AKT2CHEK1NPSR1KDM4ENOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 WO disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 AKT2 2225/4885CHEK1 2547/4885ALDH1A1 1614/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 AKT2 2225/4885CHEK1 2547/4885ALDH1A1 1614/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 AKT2 4579/4885CHEK1 4294/4885ALDH1A1 1441/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 AKT2 4356/4885CHEK1 3669/4885ALDH1A1 2989/4885

“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.