SCHEMBL2806481

SCHEMBL2806481

CN(C)CCOc1ccc(-c2cnc3c(Br)cnn3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.67
FLT1 P17948 7/20 0.67
FLT4 P35916 6/20 0.67
FLT3 P36888 2/20 0.67
PLK4 O00444 1/20 0.67
AURKA O14965 1/20 0.67
DYRK3 O43781 1/20 0.67
MAP4K4 O95819 1/20 0.67
NTRK1 P04629 1/20 0.67
INSR P06213 1/20 0.67
CDK1 P06493 1/20 0.67
FGFR1 P11362 1/20 0.67
CDK2 P24941 1/20 0.67
MARK3 P27448 1/20 0.67
CLK2 P49760 1/20 0.67
GSK3A P49840 1/20 0.67
GSK3B P49841 1/20 0.67
IRAK1 P51617 1/20 0.67
CSNK2A1 P68400 1/20 0.67
CSNK1G2 P78368 1/20 0.67

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
SCHEMBL17442119 0.87 ACVR1 (0.60) KDRFLT1FLT4FLT3PLK4
SCHEMBL17442454 0.82 PRKAB1 (0.59) KDRFLT1FLT4FLT3PLK4
SCHEMBL2810629 0.80 KDR (1.00) KDRFLT1FLT4FLT3PLK4
SCHEMBL17442460 0.79 PRKAB2 (0.82) KDRFLT1FLT4FLT3PLK4
SCHEMBL2809221 0.78 PRKAB2 (0.80) KDRFLT1FLT4FLT3PLK4
SCHEMBL17441844 0.78 KDR (0.51) KDRFLT1FLT4PRKAB1BMP4
SCHEMBL24412157 0.77 ACVR1 (0.68) KDRFLT1FLT4PRKAB1PRKAB2
SCHEMBL17442236 0.76 PRKAB2 (0.61) KDRFLT1FLT4FLT3PLK4
SCHEMBL15996325 0.76 KDR (0.76) KDRFLT1FLT4FLT3PRKAB1
SCHEMBL13126003 0.76 PRKAB1 (0.72) KDRFLT1FLT4FLT3PLK4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 WO disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 WO disclosed
US-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MERCK & CO., INC. 2010-09-23 US disclosed
EP-1981509-B1 Pyrazolo[1,5-a]pyrimidine derivatives for use in treatment of Alzheimer's disease and related conditions MERCK SHARP & DOHME (GB) 2010-03-17 EP disclosed
EP-1981509-A1 TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS Merck Sharp & Dohme Limited (GB) 2008-10-22 EP disclosed
WO-2007085873-A1 TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2007-08-02 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-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MAPT, MAP2, TTBK1 KDR 3689/4885FLT1 3092/4885FLT4 3296/4885
US-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 KDR 217/4885FLT1 155/4885FLT4 234/4885

“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.