SCHEMBL17442147

SCHEMBL17442147

CN1CCC(c2ccc(-c3cnc4c(-c5cccc(C(C)(C)O)c5)cnn4c3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 7/20 0.45
BMPR1A P36894 3/20 0.45
ACVR1B P36896 3/20 0.45
BMPR1B O00238 2/20 0.45
ACVRL1 P37023 2/20 0.45
KDR P35968 9/20 0.43
BMP4 P12644 2/20 0.43
TGFBR1 P36897 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
KMT2A Q03164 1/20 0.41
TGFBR2 P37173 1/20 0.41
BMPR2 Q13873 1/20 0.41
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
GAK O14976 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
SCHEMBL26867314 0.93 ACVR1 (0.47) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL17442117 0.89 ACVR1 (0.58) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL23988895 0.83 ACVR1 (0.49) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL17448508 0.83 ACVR1 (0.47) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL23988842 0.82 KDR (0.58) ACVR1BMPR1ABMPR1BACVRL1KDR
SCHEMBL17442238 0.81 ACVR1 (0.62) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL26867335 0.81 ACVR1 (0.60) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL24409638 0.79 ACVR1 (0.70) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL17442071 0.78 KDR (0.53) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL17441845 0.77 ACVR1 (0.68) ACVR1BMPR1AACVR1BBMPR1BACVRL1

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 13 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-20230372390-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. 2023-11-23 US disclosed
WO-2023081212-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
US-20220401445-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. 2022-12-22 US disclosed
WO-2022098821-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2022099166-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2022098812-A1 METHODS OF TREATING IRON OVERLOAD KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2021222875-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2021-11-04 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 (4 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 32/4885ACVR1B 9/4885
US-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 ACVR1 12/4885BMPR1A 7/4885ACVR1B 17/4885
US-20230398118-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE BMPR2, BMP1, BMP2 ACVR1 13/4885BMPR1A 8/4885ACVR1B 20/4885
US-20230372390-A1 METHODS OF TREATING LYMPHOPENIA HAMP, BMPR2, BMP2 ACVR1 16/4885BMPR1A 10/4885ACVR1B 15/4885

“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.