SCHEMBL14488397

SCHEMBL14488397

Nc1ncnn2c([C@@H]3CCCNC3)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
SCHEMBL16011379 1.00 ACVRL1 (1.00) ACVRL1
SCHEMBL16011145 0.94 ACVRL1 (1.00) ACVRL1
SCHEMBL14488759 0.94 ACVRL1 (1.00) ACVRL1
SCHEMBL14488451 0.92 ACVRL1 (1.00) ACVRL1
SCHEMBL16011196 0.92 ACVRL1 (1.00) ACVRL1
SCHEMBL14488443 0.88 ACVRL1 (1.00) ACVRL1
SCHEMBL14488634 0.87 ACVRL1 (0.90) ACVRL1
SCHEMBL28066416 0.85 ACVRL1 (0.77) ACVRL1
SCHEMBL27959165 0.85 ACVRL1 (0.77) ACVRL1
SCHEMBL14488673 0.83 ACVRL1 (1.00) 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 11 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
CN-103764657-B The pyrrolo-triazine replacing as the methylol aryl of ALK1 inhibitor BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-25 CN disclosed
US-9040691-B2 Hydroxymethylaryl-substituted pyrrolotriazines as ALK1 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-26 US disclosed
US-9040691-B2 Hydroxymethylaryl-substituted pyrrolotriazines as ALK1 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-26 US 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
US-20140256718-A1 HYDROXYMETHYLARYL-SUBSTITUTED PYRROLOTRIAZINES AS ALK1 INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 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
CN-103764657-A Hydroxymethylaryl-substituted pyrrolotriazines as ALKL inhibitors BAYER IP GMBH 2014-04-30 CN 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.