Sugi Predict

Sugi Predict / Compounds / SCHEMBL1444002

SCHEMBL1444002

SCHEMBL1444002

CC(=O)N1CCN([C@H]2C[C@@H](n3cc(Br)c4c(N)ncnc43)C2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 9/20 0.69
▸ KIF5B P33176 7/20 0.69
▸ KDR P35968 4/20 0.69
▸ LCK P06239 3/20 0.64
▸ KCNH2 Q12809 2/20 0.64
▸ LYN P07948 2/20 0.64
▸ CCDC6 Q16204 1/20 0.64
▸ ABL1 P00519 1/20 0.64
▸ NTRK1 P04629 1/20 0.64
▸ KIT P10721 1/20 0.64
▸ BCR P11274 1/20 0.64
▸ SRC P12931 1/20 0.64
▸ BLK P51451 1/20 0.64
▸ NTRK2 Q16620 1/20 0.64
▸ IGF1R P08069 6/20 0.51
▸ INSR P06213 2/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ FLT3 P36888 1/20 0.51

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
SCHEMBL1444001 1.00 RET (0.69) RETKIF5BKDRLCKKCNH2
SCHEMBL1441873 0.87 RET (0.58) RETKIF5BKDRLCKKCNH2
SCHEMBL1444354 0.87 RET (0.58) RETKIF5BKDRLCKKCNH2
SCHEMBL1441871 0.87 RET (0.58) RETKIF5BKDRLCKKCNH2
SCHEMBL1442511 0.87 RET (0.69) RETKIF5BKDRLCKKCNH2
SCHEMBL1442513 0.87 RET (0.69) RETKIF5BKDRLCKKCNH2
SCHEMBL27864236 0.85 RET (0.52) RETKIF5BKDRLCKKCNH2
SCHEMBL18925745 0.81 METTL3 (0.50) RETKIF5BKDRKCNH2CCDC6
SCHEMBL16769693 0.81 METTL3 (0.50) RETKIF5BKDRKCNH2CCDC6
SCHEMBL1442891 0.80 RET (0.46) RETKIF5BKDRLCKKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 — — US disclosed
EP-2504339-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-10-03 — — EP disclosed
EP-2475668-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-07-18 — — EP disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 — — US disclosed
WO-2011064211-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-06-03 — — WO disclosed
WO-2011029915-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-03-17 — — 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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI RET 1157/4885KIF5B 2555/4885KDR 531/4885
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 RET 853/4885KIF5B 2516/4885KDR 921/4885

“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.