Sugi Predict

Sugi Predict / Compounds / SCHEMBL3772683

SCHEMBL3772683

SCHEMBL3772683

CCC(CC)Nc1cc(Br)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SHMT2 P34897 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ CRHR1 P34998 2/20 0.32

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
SCHEMBL3774959 0.81 CRHR1 (0.46) IDO1DYRK1AHCAR3HCAR2CRHR1
SCHEMBL19836479 0.80 KMT2A (0.50) KMT2AHTTNPC1ALDH1A1MEN1
SCHEMBL12722223 0.76 KMT2A (0.54) KMT2AHTTNPC1ALDH1A1MEN1
SCHEMBL29705465 0.76 KMT2A (0.54) KMT2AHTTNPC1ALDH1A1MEN1
SCHEMBL20703610 0.73 TLR8 (0.50) KMT2AHTTNPC1ALDH1A1MEN1
SCHEMBL29598936 0.73 TLR8 (0.50) KMT2AHTTNPC1ALDH1A1MEN1
SCHEMBL3018852 0.72 CRHR1 (0.38) HCAR3HCAR2CRHR1
SCHEMBL25148993 0.71 KMT2A (0.44) KMT2AHTTNPC1ALDH1A1MEN1
SCHEMBL30950812 0.71 KMT2A (0.44) KMT2AHTTNPC1ALDH1A1MEN1
SCHEMBL22011048 0.70 HSD17B10 (0.42) KMT2AHTTNPC1ALDH1A1MEN1

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 7 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 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
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 — — WO 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 KMT2A 3851/4885HTT 1382/4885NPC1 4884/4885

“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.