SCHEMBL17448564

SCHEMBL17448564

O=S(O)c1ccc(-c2cnn3cc(-c4ccc(OC5(CN6CCCCC6)COC5)cc4)cnc23)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 15/20 0.51
BMP4 P12644 4/20 0.50
BMPR1B O00238 8/20 0.48
ACVRL1 P37023 8/20 0.48
BMPR1A P36894 7/20 0.48
ACVR1B P36896 6/20 0.48
TGFBR1 P36897 5/20 0.46
TGFBR2 P37173 4/20 0.46
ACVR2A P27037 1/20 0.46
ACVR2B Q13705 1/20 0.46
KDR P35968 7/20 0.45
PRKAB1 Q9Y478 5/20 0.45
FLT1 P17948 4/20 0.45
FLT4 P35916 3/20 0.45
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAA1 Q13131 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43

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
SCHEMBL19123887 0.93 ACVR1 (0.53) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL19123956 0.92 ACVR1 (0.53) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL19110560 0.87 ACVR1 (0.53) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL17442450 0.85 ACVR1 (0.72) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL23988709 0.84 ACVR1 (0.53) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL19123821 0.84 ACVR1 (0.71) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL25471663 0.84 ACVR1 (0.52) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL19123961 0.83 ACVR1 (0.71) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL19123600 0.81 ACVR1 (0.60) ACVR1BMP4BMPR1BACVRL1BMPR1A
SCHEMBL19123596 0.81 ACVR1 (0.69) ACVR1BMP4BMPR1BACVRL1BMPR1A

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 2 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

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 ACVR1 12/4885BMP4 4/4885BMPR1B 8/4885

“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.