SCHEMBL17448591

SCHEMBL17448591

CN1CCN(c2ccc(-c3cnc4c(-c5ccc([S+](N)[O-])c6ccccc56)cnn4c3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 14/20 0.56
ACVR1B P36896 9/20 0.55
TGFBR1 P36897 4/20 0.55
TGFBR2 P37173 4/20 0.55
KDR P35968 3/20 0.55
BMPR2 Q13873 3/20 0.55
PRKAB1 Q9Y478 3/20 0.55
BMPR1B O00238 8/20 0.54
BMPR1A P36894 8/20 0.54
ACVRL1 P37023 8/20 0.54
BMP4 P12644 2/20 0.47
RET P07949 1/20 0.44
ACVR2A P27037 2/20 0.43
ACVR2B Q13705 2/20 0.43
RIPK2 O43353 1/20 0.42

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
SCHEMBL17448590 0.90 ACVR1B (0.69) ACVR1ACVR1BTGFBR1TGFBR2KDR
SCHEMBL17448585 0.89 ACVR1 (0.54) ACVR1ACVR1BTGFBR1TGFBR2KDR
SCHEMBL24425287 0.84 ACVR1 (0.56) ACVR1ACVR1BTGFBR1TGFBR2KDR
SCHEMBL17448611 0.83 ACVR1 (0.55) ACVR1ACVR1BTGFBR1TGFBR2KDR
SCHEMBL17441986 0.83 ACVR1 (0.80) ACVR1ACVR1BTGFBR1TGFBR2KDR
SCHEMBL17448659 0.78 ACVR1 (0.68) ACVR1ACVR1BTGFBR1TGFBR2KDR
SCHEMBL17448671 0.78 ACVR1 (0.69) ACVR1ACVR1BTGFBR1TGFBR2KDR
SCHEMBL17448643 0.77 ACVR1 (0.64) ACVR1ACVR1BTGFBR1TGFBR2KDR
SCHEMBL23988780 0.77 ACVR1 (0.70) ACVR1ACVR1BTGFBR1TGFBR2KDR
SCHEMBL24412137 0.76 ACVR1 (0.57) ACVR1ACVR1BTGFBR1TGFBR2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081212-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2023-05-11 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
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 (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 12/4885ACVR1B 17/4885TGFBR1 45/4885

“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.