SCHEMBL14488101

SCHEMBL14488101

Nc1ncnn2c(CN3CCCC(O)C3)cc(Br)c12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 9/20 0.65
▸ FGFR1 P11362 3/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ MAP4K4 O95819 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CCR5 P51681 1/20 0.37
▸ PDE2A O00408 1/20 0.37

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
SCHEMBL14488019 0.93 ACVRL1 (0.64) ACVRL1FGFR1FGFR3MAP4K4PIK3CD
SCHEMBL16011267 0.86 ACVRL1 (0.62) ACVRL1FGFR1FGFR3MAP4K4ALDH1A1
SCHEMBL14488056 0.79 ACVRL1 (1.00) ACVRL1
SCHEMBL14488491 0.79 ACVRL1 (0.54) ACVRL1FGFR1FGFR3MAP4K4ALDH1A1
SCHEMBL65456 0.77 ACVRL1 (0.59) ACVRL1FGFR1FGFR3MAP4K4PIK3CD
SCHEMBL59608 0.76 ACVRL1 (0.64) ACVRL1FGFR1FGFR3PIK3CDKDM4E
SCHEMBL14327080 0.76 ACVRL1 (0.47) ACVRL1FGFR1MAP4K4PIK3CDKDM4E
SCHEMBL14888176 0.74 ACVRL1 (0.46) ACVRL1FGFR1FGFR3ALDH1A1PIK3CD
SCHEMBL58280 0.74 PIK3CD (0.46) ACVRL1FGFR1FGFR3MAP4K4PIK3CD
SCHEMBL15217900 0.73 FGFR1 (0.67) ACVRL1FGFR1FGFR3

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 4/4885FGFR1 16/4885FGFR3 145/4885

“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.

Send feedback