SCHEMBL17702552

SCHEMBL17702552

c1cc(-c2cnn3cc(-c4ccc(N5CCCCC5)cc4)cnc23)c2cccnc2c1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 14/20 0.82
ACVR1 Q04771 14/20 0.82
BMPR1A P36894 13/20 0.82
BMPR1B O00238 12/20 0.82
ACVR1B P36896 11/20 0.82
KDR P35968 5/20 0.82
TGFBR1 P36897 4/20 0.82
TGFBR2 P37173 4/20 0.82
BMPR2 Q13873 4/20 0.82
PRKAB1 Q9Y478 4/20 0.82
BMP4 P12644 6/20 0.71
RIPK2 O43353 1/20 0.71
ACVR2A P27037 1/20 0.71
ACVR2B Q13705 1/20 0.71

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
SCHEMBL29389388 0.93 ACVR1B (0.83) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL17817805 0.93 ACVR1B (0.83) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL16025991 0.90 ACVR1 (1.00) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL29391702 0.90 ACVR1 (1.00) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
Hydrochloric Acid SCHEMBL30388107 0.89 ACVR1 (0.98) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL17531631 0.85 ACVRL1 (0.83) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL17531641 0.85 ACVRL1 (0.84) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL17531635 0.84 ACVRL1 (0.84) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL31060242 0.84 ACVR1B (1.00) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL19660993 0.83 ACVR1B (1.00) ACVRL1ACVR1BMPR1ABMPR1BACVR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115167-A1 BMP INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-28 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-20160115167-A1 BMP INHIBITORS AND METHODS OF USE THEREOF BMP1, BMPR2, BMP2 ACVRL1 14/4885ACVR1 13/4885BMPR1A 5/4885

“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.