SCHEMBL3320965

SCHEMBL3320965

CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4ccc(-c5ncn[nH]5)cc4)ncc3cc2Br)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.42
CHEK2 O96017 2/20 0.42
MAPT P10636 1/20 0.40
IKBKB O14920 1/20 0.40
TBK1 Q9UHD2 2/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND2 P30279 1/20 0.39
CCND3 P30281 1/20 0.39
PIK3CD O00329 1/20 0.39
SYK P43405 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
DYRK2 Q92630 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
IKBKE Q14164 1/20 0.37

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
SCHEMBL1570264 0.86 GPR119 (0.41) CHEK2MAPTTBK1CDK4CCND1
SCHEMBL1570314 0.86 IKBKB (0.45) IGF1RMAPTIKBKBCDK4CCND1
SCHEMBL3320675 0.85 CHEK2 (0.47) IGF1RCHEK2MAPTIKBKBTBK1
SCHEMBL3320970 0.84 MAP4K1 (0.35) IGF1RIKBKBTBK1CDK4CCND1
SCHEMBL13336350 0.84 IGF1R (0.41) IGF1RMAPTIKBKBCDK4CCND1
SCHEMBL1633896 0.83 TBK1 (0.48) IGF1RTBK1CDK4CCND1CCND2
SCHEMBL1572268 0.81 IGF1R (0.43) IGF1RIKBKBCDK4CCND1CCND2
SCHEMBL1570949 0.81 TBK1 (0.46) IGF1RIKBKBTBK1IDO1GPR119
SCHEMBL1872243 0.81 GPR119 (0.44) IGF1RCHEK2IKBKBGPR119
SCHEMBL1572127 0.81 EGFR (0.46) IGF1RMAPTIKBKB

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
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 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-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 IGF1R 364/4885CHEK2 287/4885MAPT 2316/4885

“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.