SCHEMBL4917673

SCHEMBL4917673

FC(F)(F)c1nc(NNC2CC2)c2[nH]cnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.40
ADORA1 P30542 7/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
PAK1 Q13153 1/20 0.39
ADORA3 P0DMS8 9/20 0.39
ADORA2A P29274 6/20 0.39
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
BRAF P15056 1/20 0.36
XDH P47989 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 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
SCHEMBL3133575 0.86 ADORA3 (0.50) TLR7ADORA1LMNAHTTPAK1
SCHEMBL3136748 0.81 LMNA (0.58) TLR7ADORA1LMNAHTTPAK1
SCHEMBL3137133 0.77 XDH (0.59) HTTADORA3ADORA2ABRAFXDH
SCHEMBL3141427 0.76 ADORA3 (0.46) HTTADORA3BRAFXDHCCNB2
SCHEMBL3136203 0.68 CDK2 (0.40) HSD17B10ALDH1A1BRAFXDHCDK2
SCHEMBL4534389 0.68 CDK2 (0.40) ADORA1ADORA3ADORA2AALDH1A1BRAF
SCHEMBL1233712 0.68 PDPK1 (0.59) LMNABRAFXDHCDK1CCNB1
SCHEMBL3137199 0.68 DPP4 (0.56) ADORA3ALDH1A1BRAFXDHCDK2
SCHEMBL3133570 0.68 TLR7 (0.49) TLR7LMNAHTTPAK1PKM
SCHEMBL16146850 0.67 LMNA (0.54) ADORA1LMNAHTTPAK1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2008-06-12 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 (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-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A TLR7 4771/4885ADORA1 954/4885HTR2B 1040/4885

“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.