SCHEMBL16809645

SCHEMBL16809645

FC1(F)CCN(Cc2cc3c(Cl)nccc3[nH]2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 12/20 0.40
▸ CLK3 P49761 12/20 0.40
▸ DYRK1A Q13627 12/20 0.40
▸ DRD1 P21728 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ TMEM97 Q5BJF2 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ WNT1 P04628 2/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ PDE7B Q9NP56 1/20 0.35
▸ ANO1 Q5XXA6 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
SCHEMBL16809739 0.81 ALDH1A1 (0.40) DRD3DRD4
SCHEMBL16809638 0.80 METAP2 (0.41) —
SCHEMBL16809745 0.79 ICAM1 (0.35) DRD1DRD3TMEM97SIGMAR1DRD4
SCHEMBL16794962 0.79 DRD4 (0.40) DRD1DRD3SIGMAR1DRD4
SCHEMBL16809746 0.78 METTL3 (0.34) DYRK1ADRD1DRD3SIGMAR1DRD4
SCHEMBL16794956 0.78 CCNK (0.47) —
SCHEMBL16809738 0.76 CHEK1 (0.39) DRD3SIGMAR1DRD4
SCHEMBL18372311 0.75 CLK2 (0.44) CLK2CLK3DYRK1AWNT1
SCHEMBL26889310 0.73 CCNK (0.42) CLK2CLK3DYRK1ADRD3DRD4
SCHEMBL16809569 0.70 DYRK1A (0.35) DYRK1A

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-9643967-B2 Pyrrolo[3,2-c]pyridine derivatives as TLR inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-09 — — US disclosed
US-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-12 — — US disclosed
WO-2015088045-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-18 — — 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-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TLR9, TLR7, TLR1 CLK2 3773/4885CLK3 4215/4885DYRK1A 2225/4885

“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.

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