SCHEMBL3783059

SCHEMBL3783059

CC[C@H](O)Cc1nc(Nc2cc(F)cc(OC)c2)nn1-c1ccnc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.37
▸ KDR P35968 2/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ KCNH3 Q9ULD8 3/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ SYK P43405 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ZAP70 P43403 2/20 0.32
▸ SRC P12931 1/20 0.32
▸ MUSK O15146 1/20 0.32
▸ NTRK1 P04629 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
SCHEMBL3435660 1.00 JAK2 (0.37) JAK2KDRFLT1FLT4MAPK1
SCHEMBL3776106 0.90 SRC (0.33) MAPK1LMNATP53ZAP70SRC
SCHEMBL3435554 0.90 SRC (0.33) MAPK1LMNATP53ZAP70SRC
SCHEMBL3777850 0.89 GSK3B (0.46) JAK2KDRFLT1FLT4GSK3B
SCHEMBL8018216 0.89 GSK3B (0.46) JAK2KDRFLT1FLT4GSK3B
SCHEMBL3434426 0.85 MAPK1 (0.33) JAK2MAPK1GSK3BCDK2CDK4
SCHEMBL3781770 0.85 MAPK1 (0.33) JAK2MAPK1GSK3BCDK2CDK4
SCHEMBL3779354 0.80 SRC (0.33) MAPK1LMNASRC
SCHEMBL3781782 0.78 MAPK1 (0.33) MAPK1CDK2CDK4P2RX7
SCHEMBL3030101 0.78 JAK2 (0.42) JAK2KDRFLT1FLT4PTK2

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
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 — — EP claimed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US claimed
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 — — EP 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-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNE JAK2 2568/4885KDR 1672/4885FLT1 2927/4885

“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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