SCHEMBL21208564

SCHEMBL21208564

C[C@@H]1CN(c2ccc3nc(C4CC4)c4nc5cc(F)c(F)cc5n4c3n2)C[C@H](C)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.35
▸ DPP9 Q86TI2 2/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ CYP11B2 P19099 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.31
▸ CDK4 P11802 2/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ PDE10A Q9Y233 2/20 0.31
▸ GHSR Q92847 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21208566 0.83 MAPT (0.38) CYP11B2PRKCQPRKCDGHSRKDM4E
SCHEMBL21208521 0.82 LCK (0.34) PRKCQPRKCDTLR9TLR8TLR7
SCHEMBL21208565 0.80 PDE10A (0.39) DPP4DPP7DPP8CDK4PRKCQ
SCHEMBL21208602 0.80 PDE10A (0.35) DPP4DPP9DPP7CDK4PRKCQ
SCHEMBL21208452 0.78 TLR9 (0.35) CYP11B2PRKCQPRKCDGHSRKDM4E
SCHEMBL21217322 0.78 TNKS (0.33) PRKCQPRKCDGHSRKDM4ELMNA
SCHEMBL19636210 0.77 MAPT (0.38) PRKCQPRKCDPDE10AGHSRKDM4E
SCHEMBL21208551 0.75 CACNA2D1 (0.38) CYP11B2PRKCQPRKCDKDM4EMAPT
SCHEMBL21208562 0.70 PDE10A (0.42) CDK4CDK6PDE10AMAPT
SCHEMBL21208472 0.70 GPR6 (0.32) PRKCQPRKCDGHSRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 — — US disclosed
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2019-08-01 — — 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 (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-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 DPP4 2994/4885DPP9 3945/4885DPP7 2841/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 DPP4 3465/4885DPP9 4347/4885DPP7 3007/4885

“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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