SCHEMBL17442091

SCHEMBL17442091

C[C@@H]1CNC[C@H](C)N1c1ccc(-c2cnc3c(-c4cccc(S(=O)(=O)C5CC5)c4)cnn3c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 19/20 0.81
BMPR1A P36894 11/20 0.81
ACVRL1 P37023 7/20 0.58
ACVR1B P36896 6/20 0.58
BMPR1B O00238 5/20 0.58
KCNH2 Q12809 1/20 0.47
KDR P35968 1/20 0.47
TGFBR1 P36897 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47

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
SCHEMBL17441857 0.90 ACVR1 (0.85) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL17441677 0.90 ACVR1 (1.00) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL17448565 0.89 ACVR1 (0.82) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL17441900 0.88 ACVR1 (0.81) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL17442206 0.88 ACVR1 (0.81) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL17442191 0.86 ACVR1 (0.77) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL24788884 0.85 ACVR1 (0.67) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL17448562 0.84 ACVR1 (0.74) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL17441865 0.83 ACVR1 (0.73) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL19123447 0.82 ACVR1 (0.72) ACVR1BMPR1AACVRL1ACVR1BBMPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398118-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE KEROS THERAPEUTICS, INC. 2023-12-14 US disclosed
US-20230398118-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE KEROS THERAPEUTICS, INC. 2023-12-14 US disclosed
US-20220401445-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. 2022-12-22 US disclosed
WO-2022099166-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2022098821-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
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
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
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
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 (3 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-20220401445-A1 METHODS OF USING ALK2 INHIBITORS ALK, ACVR2A, ACVR1 ACVR1 3/4885BMPR1A 32/4885ACVRL1 6/4885
US-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 ACVR1 12/4885BMPR1A 7/4885ACVRL1 13/4885
US-20230398118-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE BMPR2, BMP1, BMP2 ACVR1 13/4885BMPR1A 8/4885ACVRL1 22/4885

“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.