SCHEMBL174841

SCHEMBL174841

CC(C)(C)n1ncc2c(Cl)nc(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.42
PDE1C Q14123 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.38
ADA P00813 1/20 0.37
CYP17A1 P05093 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
PDE8A O60658 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL31194523 1.00 PDE2A (0.42) PDE2APDE1CSMN1; SMN2MAPK1TSHR
SCHEMBL29175058 0.83 GAA (0.43) PDE2APDE1CSMN1; SMN2MAPK1TSHR
SCHEMBL55774 0.79 PDE2A (0.64) PDE2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29174759 0.79 PDE10A (0.43) PDE2APDE1CSMN1; SMN2MAPK1TSHR
SCHEMBL22521558 0.75 ABL1 (0.45) SMN1; SMN2MAPK1TSHRCYP1A2CYP2C9
SCHEMBL22805547 0.75 PDE2A (0.50) PDE2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29174833 0.75 PDE1C (0.34) PDE1CSMN1; SMN2MAPK1TSHRCYP1A2
SCHEMBL7904205 0.72 PLK4 (0.41) PDE2AMAPK1GAAALDH1A1
SCHEMBL2189832 0.71 ADORA3 (0.43) PDE2ASMN1; SMN2MAPK1TSHRCYP1A2
SCHEMBL2357706 0.71 KDM4E (0.43) PDE2APDE1CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970266-B1 1-PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2018-01-31 EP disclosed
EP-2970266-B1 1-PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2018-01-31 EP disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20170283440-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20170283440-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20170283440-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-9718816-B2 1-phenoxy-3-(alkylamino)-propan-2-ol derivatives as CARM1 inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-01 US disclosed
US-9718816-B2 1-phenoxy-3-(alkylamino)-propan-2-ol derivatives as CARM1 inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-01 US disclosed
WO-2016044650-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
WO-2016044650-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
US-20160052922-A1 1-PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF Epizyme. Inc. (US) 2016-02-25 US disclosed
EP-2970266-A1 1 -PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 EP disclosed
WO-2014144455-A1 1 -PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-18 WO disclosed
WO-2014144455-A1 1 -PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-18 WO disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO 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-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 PDE2A 178/4885PDE1C 1424/4885SMN1; SMN2 1252/4885
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 PDE2A 1743/4885PDE1C 2464/4885SMN1; SMN2 3140/4885
US-20160052922-A1 1-PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PBRM1 PDE2A 3258/4885PDE1C 2044/4885SMN1; SMN2 1561/4885
US-20170283440-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, TIAM1 PDE2A 3490/4885PDE1C 2217/4885SMN1; SMN2 1326/4885

“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.