SCHEMBL9899320

SCHEMBL9899320

Cc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)ncnc2c1C(=O)N[C@H]1CCC[C@@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.38
BRD4 O60885 1/20 0.35
ABL1 P00519 1/20 0.35
PDE4B Q07343 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GABRA1 P14867 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL9898179 1.00 TRPV1 (0.38) TRPV1BRD4ABL1PDE4BPDE4A
SCHEMBL9897651 1.00 TRPV1 (0.38) TRPV1BRD4ABL1PDE4BPDE4A
SCHEMBL9895384 1.00 TRPV1 (0.38) TRPV1BRD4ABL1PDE4BPDE4A
SCHEMBL9895890 0.95 GRIN1 (0.38) BRD4ABL1PDE4BGABRA1CCNT1
SCHEMBL9896710 0.95 GRIN1 (0.38) BRD4ABL1PDE4BGABRA1CCNT1
SCHEMBL9895548 0.95 GRIN1 (0.38) BRD4ABL1PDE4BGABRA1CCNT1
SCHEMBL9895364 0.95 GRIN1 (0.38) BRD4ABL1PDE4BGABRA1CCNT1
SCHEMBL9896242 0.92 TRPV1 (0.39) TRPV1BRD4PDE4BPDE4APDE4C
SCHEMBL9898728 0.92 TRPV1 (0.39) TRPV1BRD4PDE4BPDE4APDE4C
SCHEMBL9896771 0.92 TRPV1 (0.39) TRPV1BRD4PDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP 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 (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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A TRPV1 2746/4885BRD4 575/4885ABL1 861/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A TRPV1 3315/4885BRD4 435/4885ABL1 1619/4885

“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.