SCHEMBL9897737

SCHEMBL9897737

Cc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)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 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.39
CDK9 P50750 6/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
SCN9A Q15858 1/20 0.37
RBP4 P02753 1/20 0.36
BRD3 Q15059 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
USP30 Q70CQ3 1/20 0.35
BTK Q06187 1/20 0.35
PIK3CD O00329 1/20 0.35
BRD4 O60885 1/20 0.35
RET P07949 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL9896776 0.95 CDK4 (0.39) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL9897948 0.92 MEN1 (0.39) CDK4CCND1CCND3CDK6SCN9A
SCHEMBL9897217 0.91 USP30 (0.44) CCNT1CDK9SCN9ADGAT2USP30
SCHEMBL10002345 0.91 RBP4 (0.36) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL10002341 0.91 RBP4 (0.36) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL9895874 0.91 CDK9 (0.38) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL9895872 0.91 CDK9 (0.38) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL9898482 0.91 SCN9A (0.40) CDK4CCND1CCND3CDK6SCN9A
SCHEMBL9898808 0.91 RBP4 (0.38) CCNT1CDK9RBP4PIK3CDBRD4
SCHEMBL9898805 0.91 RBP4 (0.38) CCNT1CDK9RBP4PIK3CDBRD4

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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
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 CCNT1 1073/4885CDK9 641/4885CDK4 289/4885

“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.