SCHEMBL17538467

SCHEMBL17538467

NCCN(CC(=O)O)c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BMP4 P12644 7/20 0.63
▸ ACVR1 Q04771 14/20 0.56
▸ KDR P35968 7/20 0.56
▸ TGFBR1 P36897 6/20 0.56
▸ PRKAB1 Q9Y478 6/20 0.56
▸ ACVR1B P36896 13/20 0.56
▸ ACVRL1 P37023 12/20 0.56
▸ BMPR1B O00238 10/20 0.56
▸ BMPR1A P36894 10/20 0.56
▸ TGFBR2 P37173 4/20 0.56
▸ BMPR2 Q13873 3/20 0.53
▸ RIPK2 O43353 1/20 0.52
▸ ACVR2A P27037 1/20 0.52
▸ ACVR2B Q13705 1/20 0.52

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
SCHEMBL21156307 0.85 ACVR1 (0.62) BMP4ACVR1KDRTGFBR1PRKAB1
SCHEMBL23962001 0.82 BMP4 (0.69) BMP4ACVR1KDRTGFBR1PRKAB1
SCHEMBL11953449 0.79 BMP4 (1.00) BMP4ACVR1KDRTGFBR1PRKAB1
SCHEMBL17538466 0.78 BMP4 (0.70) BMP4ACVR1KDRTGFBR1PRKAB1
SCHEMBL11953445 0.77 BMP4 (1.00) BMP4ACVR1KDRTGFBR1PRKAB1
SCHEMBL17531593 0.77 BMP4 (0.82) BMP4ACVR1KDRTGFBR1PRKAB1
SCHEMBL17538465 0.76 BMP4 (0.69) BMP4ACVR1KDRTGFBR1PRKAB1
SCHEMBL12779978 0.75 BMP4 (0.82) BMP4ACVR1KDRTGFBR1PRKAB1
SCHEMBL12779920 0.75 BMP4 (0.82) BMP4ACVR1KDRTGFBR1PRKAB1
SCHEMBL11953447 0.72 BMP4 (1.00) BMP4ACVR1KDRTGFBR1PRKAB1

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-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 — — US disclosed
US-9682983-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-06-20 — — US disclosed
US-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-02-18 — — US 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-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF BMP1, BMPR2, BMP2 BMP4 6/4885ACVR1 13/4885KDR 149/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 BMP4 6/4885ACVR1 13/4885KDR 149/4885

“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.

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