SCHEMBL1106417

SCHEMBL1106417

CC(C)c1nc2cnccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
GSK3B P49841 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
MLKL Q8NB16 1/20 0.41
AAK1 Q2M2I8 6/20 0.39
TAAR1 Q96RJ0 1/20 0.38
IDO1 P14902 1/20 0.38
POLB P06746 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CYP1A2 P05177 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL22648542 0.86 KDM4E (0.40) KDM4EHSD17B10LMNASMN1; SMN2ALDH1A1
SCHEMBL17950143 0.86 AAK1 (0.43) KDM4EHSD17B10LMNASMN1; SMN2ALDH1A1
SCHEMBL1106423 0.85 KDM4E (0.55) KDM4EHSD17B10LMNAGSK3BSMN1; SMN2
SCHEMBL23676471 0.83 AAK1 (0.45) KDM4EHSD17B10LMNASMN1; SMN2AAK1
SCHEMBL22962151 0.80 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1AAK1TAAR1
SCHEMBL7069781 0.75 KMT2A (0.49) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL6250569 0.75 AAK1 (0.44) KDM4ESMN1; SMN2AAK1TAAR1SCN10A
SCHEMBL2143546 0.75 ALDH1A1 (0.44) KDM4EHSD17B10GSK3BSMN1; SMN2ALDH1A1
SCHEMBL19957612 0.75 KDM4E (0.50) KDM4EHSD17B10LMNAGSK3BSMN1; SMN2
SCHEMBL85832 0.75 ALDH1A1 (0.66) KDM4EHSD17B10LMNASMN1; SMN2ALDH1A1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
US-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-04-20 US disclosed
US-20220411404-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
WO-2021252661-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-12-16 WO disclosed
US-11072598-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-07-27 US disclosed
US-20210171637-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2021-06-10 US disclosed
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 US disclosed
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-12 US disclosed
US-20110137037-A1 CASPASE INHIBITOR PRODRUGS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-7879891-B2 such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 WO disclosed
US-20070155718-A1 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 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 (11 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-20210171637-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES HRH3, H1-3, CD274 KDM4E 424/4885HSD17B10 2526/4885LMNA 4613/4885
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION XBP1, RNASE1, ERN1 KDM4E 1263/4885HSD17B10 1996/4885LMNA 522/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 KDM4E 2875/4885HSD17B10 682/4885LMNA 734/4885
US-20070155718-A1 Caspase inhibitor prodrugs CASP1, CASP5, CASP2 KDM4E 1340/4885HSD17B10 897/4885LMNA 560/4885
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 KDM4E 3053/4885HSD17B10 576/4885LMNA 2981/4885
US-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 KDM4E 2085/4885HSD17B10 2190/4885LMNA 2930/4885
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 KDM4E 4554/4885HSD17B10 3787/4885LMNA 3475/4885
US-20220411404-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 KDM4E 3185/4885HSD17B10 4296/4885LMNA 4645/4885
US-20110137037-A1 CASPASE INHIBITOR PRODRUGS CASP1, CASP5, CASP2 KDM4E 1340/4885HSD17B10 897/4885LMNA 560/4885
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 KDM4E 722/4885HSD17B10 1103/4885LMNA 824/4885
US-11072598-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 KDM4E 4554/4885HSD17B10 3787/4885LMNA 3475/4885

“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.