SCHEMBL22074333

SCHEMBL22074333

c1ccc2c(-c3cnn4cc(N5CCNCC5)cnc34)ccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 15/20 1.00
▸ ACVR1B P36896 15/20 0.79
▸ BMPR1A P36894 14/20 0.79
▸ ACVRL1 P37023 14/20 0.79
▸ BMPR1B O00238 12/20 0.79
▸ BMP4 P12644 4/20 0.79
▸ KDR P35968 4/20 0.79
▸ TGFBR1 P36897 4/20 0.79
▸ TGFBR2 P37173 4/20 0.79
▸ BMPR2 Q13873 4/20 0.79
▸ PRKAB1 Q9Y478 4/20 0.79
▸ RIPK2 O43353 1/20 0.79
▸ ACVR2A P27037 1/20 0.79
▸ ACVR2B Q13705 1/20 0.79

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
Hydrochloric Acid SCHEMBL22027719 0.99 ACVR1 (0.98) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
SCHEMBL22074613 0.90 ACVR1 (0.81) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
SCHEMBL29353046 0.89 ACVR1 (1.00) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
SCHEMBL456393 0.89 ACVR1 (1.00) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
SCHEMBL22074566 0.88 ACVR1 (0.78) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
SCHEMBL16134950 0.88 ACVR1 (1.00) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
Hydrochloric Acid SCHEMBL29634729 0.88 ACVR1 (0.98) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
Hydrochloric Acid SCHEMBL2059683 0.88 ACVR1 (0.98) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
Hydrochloric Acid SCHEMBL29373122 0.88 ACVR1 (0.98) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
Hydrochloric Acid SCHEMBL22462135 0.88 ACVR1 (0.98) ACVR1ACVR1BBMPR1AACVRL1BMPR1B

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 11 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-20230372390-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. 2023-11-23 — — US disclosed
US-20230372390-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. 2023-11-23 — — US disclosed
US-11654147-B2 ALK2 inhibitors and methods for inhibiting BMP signaling THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2023-05-23 — — US disclosed
US-11654147-B2 ALK2 inhibitors and methods for inhibiting BMP signaling THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2023-05-23 — — US disclosed
US-20230000869-A1 NOVEL ALK2 INHIBITORS AND METHODS FOR INHIBITING BMP SIGNALING NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2023-01-05 — — US disclosed
US-20220401445-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. 2022-12-22 — — US disclosed
WO-2022098812-A1 METHODS OF TREATING IRON OVERLOAD KEROS THERAPEUTICS, INC. (US) 2022-05-12 — — WO disclosed
US-11026947-B2 ALK2 inhibitors and methods for inhibiting BMP signaling THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2021-06-08 — — US disclosed
US-20200179389-A1 NOVEL ALK2 INHIBITORS AND METHODS FOR INHIBITING BMP SIGNALING NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-06-11 — — 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 (7 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 3/4885ACVR1B 9/4885BMPR1A 32/4885
US-20200179389-A1 NOVEL ALK2 INHIBITORS AND METHODS FOR INHIBITING BMP SIGNALING BMPR2, BMP1, BMP2K ACVR1 6/4885ACVR1B 15/4885BMPR1A 5/4885
US-20230000869-A1 NOVEL ALK2 INHIBITORS AND METHODS FOR INHIBITING BMP SIGNALING BMPR2, BMP1, BMP2K ACVR1 6/4885ACVR1B 15/4885BMPR1A 5/4885
US-20230398118-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE BMPR2, BMP1, BMP2 ACVR1 13/4885ACVR1B 20/4885BMPR1A 8/4885
US-11654147-B2 ALK2 inhibitors and methods for inhibiting BMP signaling BMPR2, BMP1, BMP2K ACVR1 6/4885ACVR1B 15/4885BMPR1A 5/4885
US-11026947-B2 ALK2 inhibitors and methods for inhibiting BMP signaling BMPR2, BMP1, BMP2K ACVR1 6/4885ACVR1B 15/4885BMPR1A 5/4885
US-20230372390-A1 METHODS OF TREATING LYMPHOPENIA HAMP, BMPR2, BMP2 ACVR1 16/4885ACVR1B 15/4885BMPR1A 10/4885

“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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