SCHEMBL13835368

SCHEMBL13835368

CC(C)(CN1CCC1)Oc1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 4/20 0.41
▸ ACVRL1 P37023 3/20 0.41
▸ BMPR1B O00238 2/20 0.41
▸ ACVR1B P36896 2/20 0.39
▸ BMPR1A P36894 1/20 0.38
▸ PIK3CA P42336 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PSMB1 P20618 2/20 0.35
▸ PSMB5 P28074 2/20 0.35
▸ PSMB2 P49721 2/20 0.35
▸ HRH3 Q9Y5N1 5/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ MPO P05164 1/20 0.33
▸ TPO P07202 1/20 0.33
▸ EPX P11678 1/20 0.33
▸ LPO P22079 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL13834863 0.83 CHRNA3 (0.45) ACVR1ACVRL1BMPR1BACVR1B
SCHEMBL18872377 0.77 KDM4E (0.40) KDM4EHSD17B10MPOTPOEPX
SCHEMBL16112300 0.76 ALDH1A1 (0.46) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL17054991 0.73 LTA4H (0.56) KDM4EPSMB1PSMB5PSMB2HRH3
SCHEMBL610781 0.73 MCHR1 (0.38) KDM4EHSD17B10MPOTPOEPX
SCHEMBL17471316 0.72 NOS3 (0.45) KDM4EHSD17B10MPOTPOEPX
SCHEMBL3571206 0.71 ATM (0.46) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL18291218 0.70 LTA4H (0.60) KDM4EPSMB1PSMB5PSMB2HRH3
SCHEMBL16112920 0.70 ATM (0.49) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL22164589 0.69 LTA4H (0.59) PSMB1PSMB5PSMB2HRH3LTA4H

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 — — EP disclosed
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 — — EP disclosed
EP-2709997-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-06-29 — — EP disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 — — US disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 — — US disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 — — US disclosed
EP-2744804-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-25 — — EP disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 — — US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 — — US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 — — US disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 — — US disclosed
WO-2013024078-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 — — WO disclosed
WO-2013024078-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 — — WO disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 — — US disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 — — US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 — — US disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 — — WO disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 — — US disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 — — WO disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 — — 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 (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-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN ACVR1 4264/4885ACVRL1 4238/4885BMPR1B 4231/4885
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN ACVR1 4082/4885ACVRL1 4086/4885BMPR1B 4195/4885

“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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