SCHEMBL9951643

SCHEMBL9951643

CC(=O)N1CCN([C@H]2C[C@H](n3cc(-c4cccc(OCC56CCC(CC5)O6)c4)c4c(N)ncnc43)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 13/20 1.00
▸ KCNH2 Q12809 3/20 1.00
▸ INSR P06213 5/20 0.69
▸ PKN1 Q16512 1/20 0.69
▸ RET P07949 10/20 0.66
▸ KIF5B P33176 7/20 0.66
▸ KDR P35968 4/20 0.59
▸ CCDC6 Q16204 1/20 0.59
▸ LYN P07948 3/20 0.55
▸ SRC P12931 2/20 0.55
▸ ROCK2 O75116 2/20 0.55
▸ BMPR1B O00238 1/20 0.55
▸ RIPK2 O43353 1/20 0.55
▸ LATS1 O95835 1/20 0.55
▸ YES1 P07947 1/20 0.55
▸ HCK P08631 1/20 0.55
▸ FECH P22830 1/20 0.55
▸ MAP2K2 P36507 1/20 0.55
▸ CSNK1E P49674 1/20 0.55
▸ MAP2K1 Q02750 1/20 0.55

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
SCHEMBL9951640 1.00 IGF1R (1.00) IGF1RKCNH2INSRPKN1RET
SCHEMBL1441566 1.00 IGF1R (1.00) IGF1RKCNH2INSRPKN1RET
SCHEMBL1441569 1.00 IGF1R (1.00) IGF1RKCNH2INSRPKN1RET
SCHEMBL9950585 0.89 IGF1R (0.80) IGF1RKCNH2INSRPKN1RET
SCHEMBL9950583 0.89 IGF1R (0.80) IGF1RKCNH2INSRPKN1RET
SCHEMBL12496671 0.88 IGF1R (1.00) IGF1RKCNH2INSRPKN1RET
SCHEMBL12496674 0.88 IGF1R (1.00) IGF1RKCNH2INSRPKN1RET
SCHEMBL1443671 0.88 IGF1R (0.79) IGF1RKCNH2INSRPKN1RET
SCHEMBL1443673 0.88 IGF1R (0.79) IGF1RKCNH2INSRPKN1RET
SCHEMBL1443677 0.88 IGF1R (0.79) IGF1RKCNH2INSRPKN1RET

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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 — — 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 IGF1R 2735/4885KCNH2 3657/4885INSR 695/4885

“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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