SCHEMBL1106423

SCHEMBL1106423

CC(C)c1nc2ccncc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
AURKA O14965 1/20 0.46
ALDH1A1 P00352 4/20 0.46
PKM P14618 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
METAP1 P53582 2/20 0.45
METAP2 P50579 1/20 0.45
PDE5A O76074 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
RPS6KA5 O75582 1/20 0.42
GSK3B P49841 1/20 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
SCHEMBL1106417 0.85 KDM4E (0.50) KDM4ESMN1; SMN2HSD17B10LMNAALDH1A1
SCHEMBL27126349 0.76 PARP1 (0.45) KDM4ESMN1; SMN2HSD17B10LMNAAURKA
SCHEMBL7430577 0.75 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2HSD17B10ALDH1A1PKM
SCHEMBL85832 0.75 ALDH1A1 (0.66) KDM4ESMN1; SMN2HSD17B10LMNAALDH1A1
SCHEMBL879284 0.75 ALDH1A1 (0.50) KDM4ESMN1; SMN2AURKAALDH1A1PKM
SCHEMBL19957612 0.75 KDM4E (0.50) KDM4ESMN1; SMN2HSD17B10LMNAALDH1A1
SCHEMBL30665026 0.75 ALDH1A1 (0.66) KDM4ESMN1; SMN2HSD17B10LMNAALDH1A1
Hydrochloric Acid SCHEMBL7430563 0.74 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2ALDH1A1PKMHPGD
SCHEMBL1170780 0.74 ALDH1A1 (0.68) KDM4ESMN1; SMN2HSD17B10AURKAALDH1A1
SCHEMBL12088725 0.74 KDM4E (0.55) KDM4ESMN1; SMN2AURKAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2020-02-20 US disclosed
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 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 (10 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 KDM4E 502/4885SMN1; SMN2 2231/4885HSD17B10 1176/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT KDM4E 3060/4885SMN1; SMN2 506/4885HSD17B10 3435/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 KDM4E 2875/4885SMN1; SMN2 4168/4885HSD17B10 682/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 KDM4E 4664/4885SMN1; SMN2 3365/4885HSD17B10 3463/4885
US-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 KDM4E 3096/4885SMN1; SMN2 4635/4885HSD17B10 1398/4885
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A KDM4E 1621/4885SMN1; SMN2 2823/4885HSD17B10 38/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 KDM4E 2875/4885SMN1; SMN2 4168/4885HSD17B10 682/4885
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 KDM4E 502/4885SMN1; SMN2 2231/4885HSD17B10 1176/4885
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 KDM4E 222/4885SMN1; SMN2 1626/4885HSD17B10 540/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 KDM4E 502/4885SMN1; SMN2 2231/4885HSD17B10 1176/4885

“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.