SCHEMBL7922832

SCHEMBL7922832

Cc1cc2c(C)c[nH]c2cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.51
PIM3 Q86V86 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
ATM Q13315 1/20 0.42
DYRK1A Q13627 4/20 0.41
NFATC1 O95644 1/20 0.41
UHRF1 Q96T88 1/20 0.39
TDO2 P48775 2/20 0.38
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CDK2 P24941 2/20 0.32
DYRK1B Q9Y463 2/20 0.32
MAP3K14 Q99558 1/20 0.31
MAP3K11 Q16584 1/20 0.31
KDR P35968 1/20 0.31
IGF1R P08069 1/20 0.31

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
SCHEMBL7922361 0.83 ATM (0.42) PIM1PIM3PIM2ATMDYRK1A
SCHEMBL19114399 0.80 PIM1 (0.49) PIM1PIM3PIM2ATMDYRK1A
SCHEMBL14041130 0.80 PIM1 (0.49) PIM1PIM3PIM2ATMDYRK1A
SCHEMBL14041217 0.80 PIM1 (0.49) PIM1PIM3PIM2ATMDYRK1A
SCHEMBL25190131 0.80 PIM1 (0.44) PIM1PIM3PIM2DYRK1ANFATC1
SCHEMBL31317702 0.80 PIM1 (0.44) PIM1PIM3PIM2DYRK1ANFATC1
SCHEMBL19780083 0.77 MTNR1A (0.50) PIM1PIM3PIM2ATMDYRK1A
SCHEMBL19780559 0.77 PIM1 (0.47) PIM1PIM3PIM2ATM
SCHEMBL26690258 0.76 F7 (0.47)
SCHEMBL13824111 0.74 NFATC1 (0.36) PIM1PIM3PIM2DYRK1ANFATC1

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-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB PIM1 1965/4885PIM3 2858/4885PIM2 2974/4885

“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.