Sugi Predict

Sugi Predict / Compounds / SCHEMBL3206801

SCHEMBL3206801

SCHEMBL3206801

Cc1cc(NC(=O)Nc2cccc(CN3CCN(/C(=N\C#N)N4CCN(C)CC4)CC3)c2F)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 3/20 0.39
▸ RORC P51449 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ SRC P12931 5/20 0.38
▸ ABL1 P00519 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ KIT P10721 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ FGFR4 P22455 4/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ SMARCA2 P51531 1/20 0.36
▸ SMARCA4 P51532 1/20 0.36
▸ CDK5 Q00535 1/20 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
SCHEMBL3206805 1.00 CCR3 (0.39) CCR3RORCDHODHSRCABL1
SCHEMBL3206988 0.94 RORC (0.41) CCR3RORCDHODHNPC1RAB9A
SCHEMBL3206985 0.94 RORC (0.41) CCR3RORCDHODHNPC1RAB9A
SCHEMBL3200192 0.94 RORC (0.41) CCR3RORCDHODHNPC1RAB9A
SCHEMBL3200186 0.94 RORC (0.41) CCR3RORCDHODHNPC1RAB9A
SCHEMBL3203572 0.92 CCR3 (0.38) CCR3RORCDHODHNPC1RAB9A
SCHEMBL3212241 0.89 RORC (0.43) CCR3RORCDHODHSRCABL1
SCHEMBL3201292 0.88 RORC (0.41) CCR3RORCDHODHSRCABL1
SCHEMBL3201285 0.88 RORC (0.41) CCR3RORCDHODHSRCABL1
SCHEMBL16198772 0.85 RORC (0.46) CCR3RORCDHODHNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — US claimed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 — — US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 — — US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 — — US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 — — US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — 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 (3 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 CCR3 4640/4885RORC 2972/4885DHODH 3762/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 CCR3 4640/4885RORC 2972/4885DHODH 3762/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 CCR3 4640/4885RORC 2972/4885DHODH 3762/4885

“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.