SCHEMBL17441844

SCHEMBL17441844

CN(C)CCOc1ccc(-c2cnc3ccnn3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
TGFBR1 P36897 2/20 0.51
ACVR1 Q04771 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
BMP4 P12644 1/20 0.48
LSS P48449 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
LTA4H P09960 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ACHE P22303 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PTPN1 P18031 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 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
SCHEMBL17442232 0.86 ACVR1 (0.52) KDRTGFBR1ACVR1PRKAB1CHRNB2
SCHEMBL17441860 0.78 KDR (0.62) KDRTGFBR1ACVR1PRKAB1FLT1
SCHEMBL2806481 0.78 KDR (0.67) KDRTGFBR1ACVR1PRKAB1FLT1
SCHEMBL11953877 0.77 FLT1 (0.64) KDRTGFBR1ACVR1PRKAB1FLT1
SCHEMBL17442369 0.76 TBXAS1 (0.56) LTA4H
SCHEMBL4137082 0.73 CYP2D6 (0.66) LSSCHRNB2CHRNA4LTA4HCYP1A2
SCHEMBL12611621 0.72 KDR (0.51) KDRTGFBR1ACVR1PRKAB1FLT1
SCHEMBL22831331 0.72 LSS (0.83) LSSLTA4HCYP1A2CYP2D6ACHE
SCHEMBL24412157 0.72 ACVR1 (0.68) KDRTGFBR1ACVR1PRKAB1FLT1
SCHEMBL22130297 0.71 RAB9A (0.44) KDRACVR1PRKAB1FLT1FLT4

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 KDR 217/4885TGFBR1 45/4885ACVR1 12/4885

“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.