SCHEMBL19123748

SCHEMBL19123748

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc3c(-c4cccc5c(C(=O)O)cccc45)cnn3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 18/20 0.49
BMPR1A P36894 14/20 0.49
ACVRL1 P37023 12/20 0.49
BMPR1B O00238 11/20 0.49
ACVR1B P36896 9/20 0.44
KDR P35968 2/20 0.41
TGFBR1 P36897 1/20 0.41
TGFBR2 P37173 1/20 0.41
BMPR2 Q13873 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
BMP4 P12644 1/20 0.40

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
SCHEMBL19123043 0.93 ACVR1 (0.49) ACVR1BMPR1AACVRL1BMPR1BACVR1B
SCHEMBL17442102 0.90 ACVR1 (0.53) ACVR1BMPR1AACVRL1BMPR1BACVR1B
SCHEMBL17442002 0.88 ACVR1 (0.59) ACVR1BMPR1AACVRL1BMPR1BACVR1B
SCHEMBL19630611 0.87 ACVR1B (0.58) ACVR1BMPR1AACVRL1BMPR1BACVR1B
SCHEMBL17441869 0.85 ACVR1 (0.53) ACVR1BMPR1AACVRL1BMPR1BACVR1B
SCHEMBL19123042 0.85 ACVR1 (0.52) ACVR1BMPR1AACVRL1BMPR1BACVR1B
SCHEMBL17448520 0.85 ACVR1 (0.48) ACVR1BMPR1AACVRL1BMPR1BACVR1B
SCHEMBL17442050 0.84 ACVR1 (0.47) ACVR1BMPR1AACVRL1BMPR1BACVR1B
SCHEMBL17442064 0.83 ACVR1 (0.54) ACVR1BMPR1AACVRL1BMPR1BACVR1B
SCHEMBL17442065 0.83 ACVR1 (0.54) ACVR1BMPR1AACVRL1BMPR1BACVR1B

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 1 patent. 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

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 7/4885ACVRL1 13/4885

“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.