SCHEMBL3030101

SCHEMBL3030101

CCC(O)Cn1nc(Nc2cc(F)cc(OC)c2)nc1-c1ccnc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.42
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PTK2 Q05397 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KCNH3 Q9ULD8 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ SYK P43405 3/20 0.33

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
SCHEMBL3030096 1.00 JAK2 (0.42) JAK2PIK3CAPIK3CGKDRFLT1
Hydrochloric Acid SCHEMBL3025959 0.99 JAK2 (0.41) JAK2PIK3CAPIK3CGKDRFLT1
SCHEMBL3026142 0.90 LMNA (0.35) JAK2KDM4EALDH1A1HPGDTSHR
SCHEMBL3026134 0.90 LMNA (0.35) JAK2KDM4EALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL3021462 0.89 LMNA (0.34) JAK2KDM4EALDH1A1HPGDTSHR
SCHEMBL3655261 0.87 JAK2 (0.42) JAK2PIK3CAPIK3CGKDRFLT1
SCHEMBL3655264 0.87 JAK2 (0.42) JAK2PIK3CAPIK3CGKDRFLT1
SCHEMBL3034075 0.85 LMNA (0.33) JAK2KDM4EALDH1A1HPGDTSHR
SCHEMBL3034086 0.85 LMNA (0.33) JAK2KDM4EALDH1A1HPGDTSHR
SCHEMBL3014873 0.81 JAK2 (0.38) JAK2CDK4CDK2GSK3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212309-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2013-06-19 — — EP claimed
US-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-08-26 — — US claimed
EP-2212309-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2013-06-19 — — EP disclosed
EP-2212309-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2013-06-19 — — EP disclosed
US-8440701-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2013-05-14 — — US disclosed
US-8440701-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2013-05-14 — — US disclosed
US-8440701-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2013-05-14 — — US disclosed
US-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-08-26 — — US disclosed
US-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-08-26 — — US disclosed
US-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-08-26 — — US disclosed
WO-2009050186-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2009-04-23 — — 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-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNB1 JAK2 2232/4885PIK3CA 810/4885PIK3CG 809/4885

“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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