SCHEMBL14927017

SCHEMBL14927017

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(Br)cn4ccnc34)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.46
▸ SYK P43405 5/20 0.43
▸ CCND3 P30281 2/20 0.43
▸ CCNK O75909 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GPR119 Q8TDV5 3/20 0.42
▸ ALK Q9UM73 5/20 0.41
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCND2 P30279 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL2217499 0.89 CCND3 (0.51) SYKCCND3CCNKCCNA2CDK2
SCHEMBL14916894 0.86 SYK (0.46) SYKCDK4
SCHEMBL14916360 0.82 CCND3 (0.46) SYKCCND3CCNKCCNA2CDK2
SCHEMBL14926960 0.81 SYK (0.53) WNT3ASYKCCND3CCNKCCNA2
SCHEMBL15550868 0.79 SYK (0.48) SYK
SCHEMBL14917135 0.79 HTR2C (0.56) SYKCCND3CCNKCCNA2CDK2
SCHEMBL15550428 0.77 JAK3 (0.51) GPR119
SCHEMBL27315749 0.76 WNT3A (0.55) WNT3ASYKCCND3CCNKCCNA2
SCHEMBL14917324 0.76 SYK (0.56) SYK
SCHEMBL23047380 0.75 WNT3A (0.57) WNT3ACCND3CCNKCCNA2CDK2

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-20130116262-A1 BICYCLIC PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 — — 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-20130116262-A1 BICYCLIC PIPERAZINE COMPOUNDS BTK, LCK, SYK WNT3A 4553/4885SYK 3/4885CCND3 2785/4885

“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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