SCHEMBL13044750

SCHEMBL13044750

COC(=O)c1cc(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)c(F)cc1CC1CCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.35
▸ RIPK1 Q13546 10/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LRRK2 Q5S007 3/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32

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
SCHEMBL13947015 0.85 PTK2 (0.38) PTK2RIPK1KDM4EMEN1ALDH1A1
SCHEMBL13044755 0.83 CFTR (0.46) PTK2RIPK1KDM4EALDH1A1CFTR
SCHEMBL11922595 0.82 PTK2 (0.34) PTK2RIPK1KDM4EALDH1A1HSD17B10
SCHEMBL11991544 0.81 PTK2 (0.37) PTK2LRRK2CFTR
SCHEMBL13947012 0.81 PTK2 (0.32) PTK2HCRTR1HCRTR2
SCHEMBL11991542 0.80 PRKCQ (0.38) PTK2LRRK2CFTRHCRTR1HCRTR2
SCHEMBL13044752 0.79 PTK2 (0.33) PTK2RIPK1
SCHEMBL11922636 0.79 PTK2 (0.39) PTK2LRRK2
SCHEMBL13044788 0.79 PTK2 (0.32) PTK2RIPK1
SCHEMBL11991450 0.79 PTK2 (0.36) PTK2RIPK1LRRK2CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B PTK2 4679/4885RIPK1 3090/4885KDM4E 3068/4885

“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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