SCHEMBL3752824

SCHEMBL3752824

N#Cc1cc(N2CCOCC2)ccc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
HTT P42858 4/20 0.63
KDM4E B2RXH2 4/20 0.63
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NSD2 O96028 1/20 0.63
TSHR P16473 1/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
CASP6 P55212 1/20 0.63
MAPK1 P28482 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LGMN Q99538 2/20 0.45
PRKDC P78527 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL3750968 0.87 MAPT (0.63) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL1514606 0.85 TDP1 (0.45) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL16404654 0.83 TDP1 (0.44) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL2450403 0.81 MAPT (0.63) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL3320628 0.77 MAPT (0.63) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL1237566 0.77 KDM4E (0.63) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL81970 0.77 MAPT (0.63) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL6687266 0.75 MAPT (0.64) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL10274764 0.75 RAD51 (0.63) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL7928249 0.75 MEN1 (0.52) MAPTHTTKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586952-B2 Polycyclic estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-03-07 US disclosed
US-9586952-B2 Polycyclic estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-03-07 US disclosed
US-9586952-B2 Polycyclic estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-03-07 US disclosed
US-20160355508-A1 POLYCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-08 US disclosed
US-20160355508-A1 POLYCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-08 US disclosed
US-20160355508-A1 POLYCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-08 US disclosed
EP-2970130-A1 POLYCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
EP-2678315-B1 (Pyridin-4-yl)benzylamides as allosteric modulators of alpha 7 nAChR JANSSEN PHARMACEUTICA NV (BE) 2015-12-16 EP disclosed
CN-105121413-A Polycyclic estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC 2015-12-02 CN disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
WO-2012113850-A2 (PYRIDIN-4-YL)BENZYLAMIDES AS ALLOSTERIC MODULATORS OF ALPHA 7 nAChR JANSSEN PHARMACEUTICA NV (BE) 2012-08-30 WO disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPT 1055/4885HTT 3261/4885KDM4E 2345/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPT 1055/4885HTT 3261/4885KDM4E 2345/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPT 1055/4885HTT 3261/4885KDM4E 2345/4885
US-20160355508-A1 POLYCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 MAPT 4021/4885HTT 4343/4885KDM4E 2703/4885

“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.