SCHEMBL16964271

SCHEMBL16964271

CN1CCN(c2ccc(-c3ccn4ccnc4c3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 6/20 0.50
▸ MAP4K1 Q92918 1/20 0.49
▸ ALK Q9UM73 2/20 0.48
▸ MAPKAPK2 P49137 6/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL21364620 0.84 PIK3C3 (0.45) MAPKAPK2KDM4ERAB9AL3MBTL1JAK2
SCHEMBL31696699 0.84 MEN1 (0.51) MAP4K1KDM4ERAB9AMEN1GLA
SCHEMBL14826051 0.80 PIK3C3 (0.51) MEN1KMT2A
SCHEMBL31696698 0.75 KMT2A (0.47) KDM4EMEN1GLAGAAKMT2A
SCHEMBL17556225 0.74 ACVR1 (0.68) ACVR1
SCHEMBL19533011 0.74 ALK (0.53) ALKMAPKAPK2KDM4ERAB9AL3MBTL1
SCHEMBL3324055 0.73 DRD2 (0.46) —
SCHEMBL16965450 0.72 JAK2 (0.56) ALKMAPKAPK2KDM4ERAB9AL3MBTL1
SCHEMBL21364619 0.72 PIK3C3 (0.46) KDM4ERAB9AGLAGAA
SCHEMBL31380997 0.72 PIK3C3 (0.49) RAB9AMEN1KMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY 2020-02-20 — — US disclosed
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY 2020-02-20 — — US disclosed
US-10196392-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2019-02-05 — — US disclosed
US-10196392-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2019-02-05 — — US disclosed
WO-2018136634-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY (US) 2018-07-26 — — WO disclosed
WO-2018136634-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY (US) 2018-07-26 — — WO disclosed
EP-2900238-B1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS UNIV VANDERBILT (US) 2017-12-06 — — EP disclosed
EP-2900238-B1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS UNIV VANDERBILT (US) 2017-12-06 — — EP disclosed
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY 2017-11-02 — — US disclosed
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY 2017-11-02 — — US disclosed
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY 2017-11-02 — — US disclosed
US-9738636-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2017-08-22 — — US disclosed
US-9738636-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2017-08-22 — — US disclosed
US-9738636-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2017-08-22 — — US disclosed
US-20160068525-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY (US) 2016-03-10 — — US disclosed
US-20160068525-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY (US) 2016-03-10 — — US disclosed
US-20160068525-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY (US) 2016-03-10 — — US disclosed
EP-2900238-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS Vanderbilt University (US) 2015-08-05 — — EP 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 (4 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-10196392-B2 Fused heterocyclic compounds as selective BMP inhibitors BMP1, BMP4, BMP2 ACVR1 9/4885MAP4K1 381/4885ALK 290/4885
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS BMP1, BMP4, BMPR2 ACVR1 9/4885MAP4K1 371/4885ALK 69/4885
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors BMP1, BMP4, BMP2 ACVR1 9/4885MAP4K1 381/4885ALK 290/4885
US-20160068525-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors BMP1, BMP4, BMP2 ACVR1 9/4885MAP4K1 381/4885ALK 290/4885

“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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