SCHEMBL19110552

SCHEMBL19110552

O=[SH](=O)c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)nc4)cnc23)c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 16/20 0.75
ACVRL1 P37023 10/20 0.70
BMPR1B O00238 9/20 0.70
BMPR1A P36894 4/20 0.70
ACVR1B P36896 5/20 0.63
BMP4 P12644 3/20 0.60
KDR P35968 4/20 0.52
FLT1 P17948 3/20 0.52
TGFBR1 P36897 2/20 0.52
PRKAB1 Q9Y478 2/20 0.52
PRKAB2 O43741 1/20 0.52
LCK P06239 1/20 0.52
YES1 P07947 1/20 0.52
THRB P10828 1/20 0.52
SRC P12931 1/20 0.52
EIF2AK2 P19525 1/20 0.52
EPHA2 P29317 1/20 0.52
TGFBR2 P37173 1/20 0.52
PRKAG1 P54619 1/20 0.52
PRKAA2 P54646 1/20 0.52

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
SCHEMBL19110554 0.90 ACVR1 (0.74) ACVR1ACVRL1BMPR1BBMPR1AACVR1B
SCHEMBL19110561 0.89 ACVR1 (0.74) ACVR1ACVRL1BMPR1BBMPR1AACVR1B
SCHEMBL17448662 0.88 ACVR1 (0.74) ACVR1ACVRL1BMPR1BBMPR1AACVR1B
SCHEMBL19123427 0.85 ACVR1 (0.71) ACVR1ACVRL1BMPR1BBMPR1AACVR1B
SCHEMBL17442203 0.85 ACVR1 (1.00) ACVR1ACVRL1BMPR1BBMPR1AACVR1B
SCHEMBL24409607 0.85 ACVR1 (0.73) ACVR1ACVRL1BMPR1BBMPR1AACVR1B
SCHEMBL17531643 0.85 ACVR1 (0.88) ACVR1ACVRL1BMPR1BBMPR1AACVR1B
SCHEMBL16112182 0.82 ACVR1 (1.00) ACVR1ACVRL1BMPR1BBMPR1AACVR1B
SCHEMBL19110562 0.82 ACVR1 (0.72) ACVR1ACVRL1BMPR1BBMPR1AACVR1B
SCHEMBL19110567 0.79 ACVR1 (0.55) ACVR1ACVRL1BMPR1BBMPR1AACVR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 12/4885ACVRL1 13/4885BMPR1B 8/4885

“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.