SCHEMBL14488673

SCHEMBL14488673

Nc1ncnn2c(C3CCC(O)CC3)cc(-c3cc(F)c(CO)c(F)c3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 20/20 1.00

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
SCHEMBL16011297 1.00 ACVRL1 (1.00) ACVRL1
SCHEMBL16011372 0.92 ACVRL1 (1.00) ACVRL1
SCHEMBL16011390 0.92 ACVRL1 (1.00) ACVRL1
SCHEMBL16011391 0.92 ACVRL1 (1.00) ACVRL1
SCHEMBL16011373 0.92 ACVRL1 (1.00) ACVRL1
SCHEMBL16011145 0.85 ACVRL1 (1.00) ACVRL1
SCHEMBL14488110 0.84 ACVRL1 (0.73) ACVRL1
SCHEMBL14488397 0.83 ACVRL1 (1.00) ACVRL1
SCHEMBL16011379 0.83 ACVRL1 (1.00) ACVRL1
SCHEMBL25178006 0.82 ACVRL1 (0.70) ACVRL1

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
EP-2726482-B1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS BAYER IP GMBH (DE) 2016-07-20 EP disclosed
US-9040691-B2 Hydroxymethylaryl-substituted pyrrolotriazines as ALK1 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-26 US disclosed
US-20140256718-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
EP-2726482-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-05-07 EP disclosed
WO-2013004551-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-10 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-20140256718-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS ALK, FLT1, ACVR1 ACVRL1 4/4885

“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.