SCHEMBL4268142

SCHEMBL4268142

O/N=C/c1c[nH]c2cnccc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.65
CDK9 P50750 2/20 0.65
HASPIN Q8TF76 2/20 0.65
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
DYRK1A Q13627 10/20 0.47
GSK3B P49841 4/20 0.47
NFATC1 O95644 6/20 0.47
MAPT P10636 2/20 0.43
PDPK1 O15530 1/20 0.42
TGFBR1 P36897 1/20 0.42
IKBKE Q14164 1/20 0.42
CDK2 P24941 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
IGF1R P08069 1/20 0.40
HTR2A P28223 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4268145 1.00 CCNT1 (0.65) CCNT1CDK9HASPINHPGDHTT
SCHEMBL27773730 0.77 DYRK1A (0.51) CCNT1CDK9HASPINHPGDDYRK1A
SCHEMBL2268299 0.77 CCNT1 (0.62) CCNT1CDK9HASPINDYRK1AGSK3B
SCHEMBL29664462 0.77 CCNT1 (0.62) CCNT1CDK9HASPINDYRK1AGSK3B
Hydrochloric Acid SCHEMBL3831446 0.76 CCNT1 (0.60) CCNT1CDK9HASPINDYRK1AGSK3B
SCHEMBL31355128 0.75 HTT (1.00) HPGDHTTMAPTGAATDP1
SCHEMBL5167169 0.75 HTT (1.00) HPGDHTTMAPTGAATDP1
SCHEMBL2189141 0.75 HTT (1.00) HPGDHTTMAPTGAATDP1
SCHEMBL2189137 0.75 HTT (1.00) HPGDHTTMAPTGAATDP1
SCHEMBL6753342 0.73 APP (0.63) CCNT1CDK9HASPINDYRK1AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 US claimed
US-7608627-B2 I kappa B kinase inhibition; diabetes; (7-Chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol; N-Benzyl-7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-27 US disclosed
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 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-20080064715-A1 6-Azaindole Compound RELA, NFKBIA, GPR119 CCNT1 572/4885CDK9 73/4885HASPIN 1328/4885

“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.