Sugi Predict

Sugi Predict / Compounds / SCHEMBL210970

SCHEMBL210970

SCHEMBL210970

CC(=O)N(CCON(C=O)c1cc2ccccn2n1)NCc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 8/20 0.41
▸ MAP4K4 O95819 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 7/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 2/20 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
SCHEMBL213948 0.81 SMN1; SMN2 (0.38) MAPK8HTTNPC1RAB9AMEN1
SCHEMBL209578 0.80 ROCK2 (0.35) HTTKDM4ENPC1RAB9AMEN1
SCHEMBL210075 0.80 P2RX4 (0.34) TP53HTTMAPTNPC1RAB9A
SCHEMBL210920 0.79 NPC1 (0.43) HTTMAPTKDM4ENPC1RAB9A
SCHEMBL212585 0.79 HTT (0.35) HTTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL213609 0.79 P2RX7 (0.35) TP53HTTKDM4ENPC1RAB9A
SCHEMBL210702 0.78 NR3C1 (0.38) TP53MAPK8HTTMAPTKDM4E
SCHEMBL4351807 0.78 LMNA (0.36) TP53MAPTNPC1RAB9A
SCHEMBL213252 0.77 HIF1A (0.40) SMN1; SMN2
SCHEMBL210503 0.77 EPHX2 (0.33) HTTMAPTKDM4ENPC1RAB9A

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-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 — — US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 — — US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 — — US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 — — US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 — — 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 TP53 2206/4885MAP4K4 1386/4885ABL1 956/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TP53 2206/4885MAP4K4 1386/4885ABL1 956/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TP53 2206/4885MAP4K4 1386/4885ABL1 956/4885

“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.