SCHEMBL958069

SCHEMBL958069

COc1ccc(CCNc2nccc(-c3cccc(N)c3)n2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.61
CCNA2 P20248 1/20 0.61
CDK2 P24941 1/20 0.61
CDK9 P50750 1/20 0.61
MAPT P10636 6/20 0.56
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CDK5 Q00535 1/20 0.53
KMT2A Q03164 1/20 0.53
CDK5R1 Q15078 1/20 0.53
DYRK1A Q13627 3/20 0.53
CLK4 Q9HAZ1 3/20 0.53
TP53 P04637 3/20 0.53
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
HDAC1 Q13547 1/20 0.50
DYRK1B Q9Y463 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48

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
SCHEMBL959130 0.85 PTGDR (0.64) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL961873 0.83 CCNT1 (0.57) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL959187 0.82 MAPT (0.69) CCNT1CCNA2CDK2CDK9MAPT
Hydrochloric Acid SCHEMBL960659 0.82 CCNT1 (0.54) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL12947675 0.82 MAPT (0.56) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL959415 0.82 GAA (0.55) CCNT1CCNA2CDK2CDK9MAPT
Hydrochloric Acid SCHEMBL962602 0.81 MAPT (0.56) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL12947826 0.81 MAPT (0.56) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL1467909 0.81 PLK1 (0.65) CCNT1CCNA2CDK2CDK9MEN1
Hydrochloric Acid SCHEMBL960658 0.81 MAPT (0.55) CCNT1CCNA2CDK2CDK9MAPT

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-20110130384-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-02 US disclosed
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
EP-2298731-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-23 EP disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20110130384-A1 AMIDE COMPOUND GPR52, CNR2, ARRB1 CCNT1 1652/4885CCNA2 966/4885CDK2 1524/4885
US-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 CCNT1 2812/4885CCNA2 1245/4885CDK2 2972/4885
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 CCNT1 3526/4885CCNA2 2428/4885CDK2 2628/4885

“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.