SCHEMBL17110796

SCHEMBL17110796

COc1cc(-c2cnc(N)c(-c3cc(OC)c(OC)c(OC)c3)c2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 1.00
FYN P06241 17/20 0.90
CHEK2 O96017 4/20 0.90
BMPR1A P36894 1/20 0.73
ACVRL1 P37023 1/20 0.73
ACVR1 Q04771 1/20 0.73
CHEK1 O14757 1/20 0.70

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
SCHEMBL4622006 0.95 FYN (1.00) TGFBR1FYNCHEK2
SCHEMBL30521680 0.95 FYN (1.00) TGFBR1FYNCHEK2
SCHEMBL18860392 0.89 TGFBR1 (0.81) TGFBR1FYNCHEK2CHEK1
SCHEMBL17110829 0.88 FYN (1.00) TGFBR1FYNCHEK2BMPR1AACVRL1
SCHEMBL30521681 0.88 FYN (1.00) TGFBR1FYNCHEK2BMPR1AACVRL1
SCHEMBL18613288 0.88 FYN (1.00) TGFBR1FYNCHEK2BMPR1AACVRL1
SCHEMBL18613265 0.86 FYN (1.00) TGFBR1FYNCHEK2BMPR1AACVRL1
SCHEMBL18613514 0.85 FYN (1.00) TGFBR1FYNCHEK2BMPR1AACVRL1
SCHEMBL29358327 0.85 FYN (1.00) TGFBR1FYNCHEK2BMPR1AACVRL1
SCHEMBL16026073 0.85 FYN (1.00) TGFBR1FYNCHEK2BMPR1AACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305883-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-10-26 US disclosed
US-20170305883-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-10-26 US disclosed
US-20170305883-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-10-26 US disclosed
US-20170190705-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-06 US disclosed
US-20170190705-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-06 US disclosed
US-20170190705-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-06 US disclosed
EP-3122355-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP The Brigham and Women's Hospital, Inc. (US) 2017-02-01 EP disclosed
WO-2015148654-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-10-01 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 (2 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-20170305883-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 TGFBR1 44/4885FYN 4175/4885CHEK2 2470/4885
US-20170190705-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 TGFBR1 43/4885FYN 4165/4885CHEK2 2520/4885

“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.