SCHEMBL9895644

SCHEMBL9895644

CCOC(=O)c1c(C)[nH]c2c(-c3cc(F)ccc3OCC)ncnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PDE10A Q9Y233 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GALR2 O43603 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 3/20 0.39

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
SCHEMBL9896634 0.90 CCNT1 (0.41) CCNT1CDK9MEN1KMT2ATSHR
SCHEMBL1438867 0.87 MAPT (0.41) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL9896342 0.82 KDM5A (0.40) CCNT1CDK9MEN1KMT2ATSHR
SCHEMBL9897453 0.81 GRIN1 (0.43) CCNT1CDK9MEN1KMT2A
Hydrochloric Acid SCHEMBL9896523 0.80 GRIN1 (0.43) CCNT1CDK9MEN1KMT2A
SCHEMBL9896486 0.79 BRD4 (0.37) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9898779 0.79 KDM2B (0.41) MEN1KMT2AHPGDNPSR1NPC1
SCHEMBL9896942 0.79 BRD4 (0.42) CCNT1CDK9MAPTLMNASMN1; SMN2
SCHEMBL9895269 0.78 HSD17B10 (0.43) CCNT1CDK9MEN1KMT2AMAPK1
SCHEMBL9895448 0.78 HSD17B10 (0.43) CCNT1CDK9MEN1KMT2AMAPK1

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 CCNT1 1073/4885CDK9 641/4885MEN1 1982/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CCNT1 1056/4885CDK9 808/4885MEN1 2901/4885

“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.