SCHEMBL11954129

SCHEMBL11954129

Clc1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP4 P12644 4/20 1.00
BMPR1B O00238 16/20 0.80
ACVRL1 P37023 16/20 0.80
ACVR1 Q04771 16/20 0.80
BMPR1A P36894 15/20 0.80
ACVR1B P36896 10/20 0.80
KDR P35968 2/20 0.76
TGFBR1 P36897 2/20 0.76
TGFBR2 P37173 2/20 0.76
BMPR2 Q13873 2/20 0.76
PRKAB1 Q9Y478 2/20 0.76
RIPK2 O43353 1/20 0.76
ACVR2A P27037 1/20 0.76
ACVR2B Q13705 1/20 0.76

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
SCHEMBL16111479 0.89 BMPR1B (1.00) BMP4BMPR1BACVRL1ACVR1BMPR1A
SCHEMBL12779921 0.89 BMPR1B (0.80) BMP4BMPR1BACVRL1ACVR1BMPR1A
SCHEMBL16112592 0.89 BMPR1B (1.00) BMP4BMPR1BACVRL1ACVR1BMPR1A
SCHEMBL29353046 0.87 ACVR1 (1.00) BMP4BMPR1BACVRL1ACVR1BMPR1A
SCHEMBL456393 0.87 ACVR1 (1.00) BMP4BMPR1BACVRL1ACVR1BMPR1A
SCHEMBL26867530 0.86 BMPR1B (0.84) BMP4BMPR1BACVRL1ACVR1BMPR1A
SCHEMBL16112348 0.86 ACVR1 (1.00) BMP4BMPR1BACVRL1ACVR1BMPR1A
SCHEMBL16112027 0.86 BMPR1B (1.00) BMP4BMPR1BACVRL1ACVR1BMPR1A
Hypochlorous Acid SCHEMBL26968209 0.86 ACVR1B (0.94) BMP4BMPR1BACVRL1ACVR1BMPR1A
Hydrochloric Acid SCHEMBL2059683 0.86 ACVR1 (0.98) BMP4BMPR1BACVRL1ACVR1BMPR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372390-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20160263117-A1 COMPOSITIONS AND METHODS FOR CARDIOVASCULAR DISEASE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-09-15 US disclosed
US-20160263117-A1 COMPOSITIONS AND METHODS FOR CARDIOVASCULAR DISEASE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-09-15 US disclosed
EP-2265603-B1 INHIBITORS OF THE BMP SIGNALING PATHWAY GEN HOSPITAL CORP (US) 2014-05-07 EP disclosed
WO-2012100229-A2 COMPOSITIONS AND METHODS FOR CARDIOVASCULAR DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2012-07-26 WO disclosed
WO-2009114180-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2009-09-17 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 (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-20160263117-A1 COMPOSITIONS AND METHODS FOR CARDIOVASCULAR DISEASE APOB, BMP1, LDLR BMP4 8/4885BMPR1B 5/4885ACVRL1 24/4885
US-20230372390-A1 METHODS OF TREATING LYMPHOPENIA HAMP, BMPR2, BMP2 BMP4 17/4885BMPR1B 5/4885ACVRL1 28/4885

“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.