SCHEMBL17448596

SCHEMBL17448596

CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 19/20 0.71
BMPR1A P36894 8/20 0.71
BMPR1B O00238 3/20 0.65
ACVR1B P36896 3/20 0.65
ACVRL1 P37023 3/20 0.65
TGFBR1 P36897 2/20 0.65
TGFBR2 P37173 2/20 0.65
ACVR2A P27037 1/20 0.65
ACVR2B Q13705 1/20 0.65
BMP4 P12644 2/20 0.41
KDR P35968 1/20 0.41
PRKAB1 Q9Y478 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
SCHEMBL17441880 0.89 ACVR1 (0.77) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL19110528 0.84 ACVR1 (0.87) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17442465 0.83 ACVR1 (1.00) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17448577 0.83 ACVR1 (0.65) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17448558 0.83 ACVR1 (0.62) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17448551 0.82 ACVR1 (0.68) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17448593 0.81 KDR (0.51) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17442350 0.80 ACVR1 (0.58) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17448594 0.79 ACVR1 (0.47) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL29521578 0.79 ACVR1 (1.00) ACVR1BMPR1ABMPR1BACVR1BACVRL1

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 12/4885BMPR1A 7/4885BMPR1B 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.