SCHEMBL2807310

SCHEMBL2807310

C#Cc1cc(N)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 4/20 0.67
USP2 O75604 1/20 0.67
MAPT P10636 4/20 0.46
CYP19A1 P11511 4/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NR4A1 P22736 1/20 0.44
ATM Q13315 1/20 0.40
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
NQO2 P16083 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
SCHEMBL3874445 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EUSP2MAPTCYP19A1
SCHEMBL14661781 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2MAPTCYP19A1
SCHEMBL3817177 0.80 KDM4E (1.00) ALDH1A1KDM4EUSP2MAPTCYP19A1
SCHEMBL14662484 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EUSP2MAPTCYP19A1
SCHEMBL31184679 0.80 KDM4E (1.00) ALDH1A1KDM4EUSP2MAPTCYP19A1
SCHEMBL2808093 0.79 MAPT (0.54) ALDH1A1KDM4EUSP2MAPTGAA
Hydrochloric Acid SCHEMBL7861863 0.78 KDM4E (0.96) ALDH1A1KDM4EUSP2MAPTCYP19A1
Aniline SCHEMBL27878605 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2MAPTCYP19A1
SCHEMBL19757165 0.78 ACHE (0.56) ALDH1A1KDM4EUSP2MAPTGAA
SCHEMBL21880260 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EUSP2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736514-B1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-10-18 EP disclosed
EP-2736514-B1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-10-18 EP disclosed
US-8912200-B2 Alkynyl substituted pyrimidinyl-pyrroles active as kinases inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-12-16 US disclosed
US-8912200-B2 Alkynyl substituted pyrimidinyl-pyrroles active as kinases inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-12-16 US disclosed
US-8912200-B2 Alkynyl substituted pyrimidinyl-pyrroles active as kinases inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-12-16 US disclosed
US-20140194406-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-10 US disclosed
US-20140194406-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-10 US disclosed
US-20140194406-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-10 US disclosed
EP-2736514-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2014-06-04 EP disclosed
WO-2013014039-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-31 WO disclosed
CN-101808982-A Acetylene compound FUJIFILM CORP 2010-08-18 CN disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
US-20100079705-A1 SUBSTRATE FOR LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100079705-A1 SUBSTRATE FOR LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20090269354-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS, INC. (US) 2009-10-29 US disclosed
US-20090269354-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS, INC. (US) 2009-10-29 US disclosed
US-20090269354-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS, INC. (US) 2009-10-29 US disclosed
WO-2009121042-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS, INC. (US) 2009-10-01 WO disclosed
WO-2009121042-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS, INC. (US) 2009-10-01 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 (2 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-20090269354-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT ABL1, FLT3, GRK5 ALDH1A1 3767/4885KDM4E 2268/4885USP2 3201/4885
US-20140194406-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS JAK2, JAK1, SRC ALDH1A1 2880/4885KDM4E 915/4885USP2 2300/4885

“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.