Sugi Predict

Sugi Predict / Compounds / SCHEMBL3770183

SCHEMBL3770183

SCHEMBL3770183

Oc1nc2ncc(Cl)cc2n1[C@H](Cc1ccccn1)CN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PIK3CA P42336 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33

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
SCHEMBL3672784 0.88 NPC1 (0.39) KDM4ETSHRALDH1A1NPC1RAB9A
SCHEMBL3674204 0.88 NPC1 (0.39) KDM4ETSHRALDH1A1NPC1RAB9A
SCHEMBL3674487 0.84 ALDH1A1 (0.37) KDM4ETSHRALDH1A1NPC1RAB9A
SCHEMBL3673491 0.82 TP53 (0.36) KDM4ETSHRALDH1A1NPC1RAB9A
SCHEMBL3670815 0.82 TP53 (0.36) KDM4ETSHRALDH1A1NPC1RAB9A
SCHEMBL3670834 0.81 PSEN1 (0.34) KDM4ETSHRALDH1A1NPC1RAB9A
SCHEMBL3674193 0.81 TSHR (0.33) KDM4ETSHRALDH1A1NPC1RAB9A
SCHEMBL3673658 0.81 TSHR (0.33) KDM4ETSHRALDH1A1NPC1RAB9A
SCHEMBL14031210 0.78 MAPT (0.36) KDM4ETSHRALDH1A1NPC1RAB9A
SCHEMBL3776594 0.75 IRAK4 (0.35) TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 — — US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 — — EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 — — WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 — — US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 — — US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 — — US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 — — US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 — — US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 — — US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 — — US 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 KDM4E 4360/4885TSHR 647/4885ALDH1A1 4750/4885

“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.