SCHEMBL14488491

SCHEMBL14488491

Nc1ncnn2c(CN3CCCC(O)C3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 5/20 0.54
▸ ALDH1A1 P00352 3/20 0.45
▸ MAP4K4 O95819 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PDE2A O00408 2/20 0.35

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
SCHEMBL16011362 0.93 ACVRL1 (0.53) ACVRL1ALDH1A1MAP4K4FGFR1FGFR3
SCHEMBL16011367 0.85 ACVRL1 (0.51) ACVRL1ALDH1A1MAP4K4KDM4EFGFR1
SCHEMBL14488101 0.79 ACVRL1 (0.65) ACVRL1ALDH1A1MAP4K4KDM4EPOLB
SCHEMBL59450 0.76 ACVRL1 (0.50) ACVRL1ALDH1A1MAP4K4KDM4ESMN1; SMN2
SCHEMBL5076918 0.75 ACVRL1 (0.54) ACVRL1ALDH1A1FGFR1FGFR3
SCHEMBL59827 0.75 ACVRL1 (0.54) ACVRL1ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL14312774 0.75 PIK3CA (0.47) ACVRL1MAP4K4KDM4EPIK3CD
SCHEMBL5077251 0.73 ACVRL1 (0.38) ACVRL1ALDH1A1MAP4K4KDM4E
SCHEMBL58549 0.72 HRH3 (0.44) ACVRL1MAP4K4SMN1; SMN2FGFR1FGFR3
SCHEMBL14488019 0.71 ACVRL1 (0.64) ACVRL1MAP4K4FGFR1FGFR3PIK3CD

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 9 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-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
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 4/4885ALDH1A1 54/4885MAP4K4 2069/4885

“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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