SCHEMBL21741531

SCHEMBL21741531

CCc1cc(Cl)ccc1-c1cnn(C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FGFR3 P22607 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ KCNH2 Q12809 3/20 0.45
▸ BACE1 P56817 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ PDK2 Q15119 1/20 0.40
▸ KRAS P01116 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ ALK Q9UM73 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ SRPK2 P78362 1/20 0.39
▸ SRPK1 Q96SB4 1/20 0.39
▸ EML4 Q9HC35 1/20 0.39
▸ RIPK3 Q9Y572 1/20 0.39
▸ CREBBP Q92793 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ MAP4K4 O95819 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
SCHEMBL21741529 0.84 KCNH2 (0.47) KCNH2PDK2LRRK2
SCHEMBL23753928 0.82 PDE9A (0.47) BRD4LRRK2ALKMAP4K4
SCHEMBL19412831 0.80 KCNH2 (0.37) KCNH2PDK2
SCHEMBL16983114 0.80 FGFR3 (0.51) FGFR3KDRKCNH2BRD4PDK2
SCHEMBL31048702 0.78 BRD4 (0.54) BRD4PDK2GRM2
SCHEMBL17661854 0.76 FGFR3 (0.48) FGFR3KDRKCNH2BACE1BRD4
SCHEMBL31048522 0.75 FGFR3 (0.53) FGFR3KDRKCNH2BRD4PDK2
SCHEMBL11499872 0.75 FFAR1 (0.41) KDRCNR1
SCHEMBL20181212 0.74 CYP17A1 (0.40) CNR1CNR2SRPK2SRPK1GRM2
SCHEMBL17794960 0.74 BRD4 (0.43) BRD4LRRK2CREBBPGRM2

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-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-20 — — 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-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 FGFR3 746/4885KDR 745/4885KCNH2 2864/4885

“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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