SCHEMBL9896776

SCHEMBL9896776

Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND3 P30281 1/20 0.39
CDK6 Q00534 1/20 0.39
SCN9A Q15858 1/20 0.38
DGAT2 Q96PD7 3/20 0.37
USP30 Q70CQ3 1/20 0.37
BTK Q06187 1/20 0.36
CCNT1 O60563 3/20 0.36
CDK9 P50750 3/20 0.36
BRD3 Q15059 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
PIK3CD O00329 1/20 0.35
RET P07949 1/20 0.35
RBP4 P02753 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9897737 0.95 CCNT1 (0.39) CDK4CCND1CCND3CDK6SCN9A
SCHEMBL9896162 0.95 DGAT2 (0.42) CDK4CCND1CCND3CDK6SCN9A
SCHEMBL9898482 0.91 SCN9A (0.40) CDK4CCND1CCND3CDK6SCN9A
SCHEMBL9895598 0.91 USP30 (0.46) SCN9ADGAT2USP30GPR119
SCHEMBL16223973 0.91 RET (0.36) CDK4CCND1CCND3CDK6RET
SCHEMBL9897511 0.91 RET (0.36) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL9897508 0.91 RET (0.36) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL16223974 0.91 RET (0.36) CDK4CCND1CCND3CDK6RET
SCHEMBL9896243 0.90 RBP4 (0.36) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL9896244 0.90 RBP4 (0.36) CDK4CCND1CCND3CDK6CCNT1

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-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A CDK4 289/4885CCND1 1137/4885CCND3 784/4885

“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.