SCHEMBL17560321

SCHEMBL17560321

COc1cccc(Nc2ncc3c(n2)-c2cc(OC)ccc2CC3)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.64
CCNA2 P20248 3/20 0.63
CDK2 P24941 3/20 0.63
CDK5 Q00535 1/20 0.63
CDK5R1 Q15078 1/20 0.63
FYN P06241 1/20 0.62
IKBKB O14920 1/20 0.58
PLK1 P53350 3/20 0.57
AURKA O14965 1/20 0.57
CCNA1 P78396 1/20 0.57
SYK P43405 1/20 0.54
IGF1R P08069 3/20 0.53
CDK1 P06493 1/20 0.53
EGFR P00533 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50

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
SCHEMBL7238444 0.91 FYN (0.58) KDRCCNA2CDK2CDK5CDK5R1
SCHEMBL6999967 0.91 KDR (0.65) KDRCCNA2CDK2CDK5CDK5R1
SCHEMBL7241504 0.91 FYN (0.58) KDRCCNA2CDK2CDK5CDK5R1
SCHEMBL7230962 0.90 KDR (0.56) KDRCCNA2CDK2CDK5CDK5R1
SCHEMBL7230996 0.88 FYN (0.68) KDRCCNA2CDK2CDK5CDK5R1
SCHEMBL7241524 0.88 CDK2 (0.59) KDRCCNA2CDK2CDK5CDK5R1
SCHEMBL6996576 0.87 IGF1R (0.55) KDRCCNA2CDK2CDK5CDK5R1
SCHEMBL6994864 0.85 KDR (0.63) KDRCCNA2CDK2CDK5CDK5R1
SCHEMBL7249337 0.85 IKBKB (0.62) KDRCCNA2CDK2CDK5CDK5R1
SCHEMBL7001192 0.85 SYK (0.54) KDRCCNA2CDK2CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323043-B2 Derivatives of macrocyclic N-aryl-tricyclopyrimidine-2-amine polyethers as inhibitors of FTL3 and JAK PIERRE FABRE MEDICAMENT (FR) 2019-06-18 US disclosed
US-10323043-B2 Derivatives of macrocyclic N-aryl-tricyclopyrimidine-2-amine polyethers as inhibitors of FTL3 and JAK PIERRE FABRE MEDICAMENT (FR) 2019-06-18 US disclosed
US-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
US-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
US-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
EP-3189061-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK Pierre Fabre Médicament (FR) 2017-07-12 EP disclosed
WO-2016034637-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2016-03-10 WO disclosed
WO-2016034637-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2016-03-10 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 (2 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-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK JAK2, JAK3, JAK1 KDR 900/4885CCNA2 809/4885CDK2 139/4885
US-10323043-B2 Derivatives of macrocyclic N-aryl-tricyclopyrimidine-2-amine polyethers as inhibitors of FTL3 and JAK JAK2, JAK3, JAK1 KDR 900/4885CCNA2 809/4885CDK2 139/4885

“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.