SCHEMBL984790

SCHEMBL984790

O=C(NC1CCN(C(=O)C2CC2)CC1)c1c[nH]c2c(-c3ccccc3OCC3CC3)ncnc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 3/20 0.38
JAK3 P52333 3/20 0.36
BTK Q06187 3/20 0.36
MDM4 O15151 1/20 0.35
AOC3 Q16853 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
HTR7 P34969 2/20 0.34
JAK1 P23458 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 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
SCHEMBL984600 0.91 BTK (0.40) PAK1BTKMDM4MEN1KMT2A
SCHEMBL986013 0.89 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL983264 0.88 BTK (0.40) PAK1BTKMEN1KMT2AALDH1A1
SCHEMBL985290 0.88 KDM5A (0.37) PAK1BTKMDM4KMT2AHTR7
SCHEMBL985879 0.88 MTNR1B (0.40) PAK1JAK3MDM4CYP4F2CYP4A11
SCHEMBL981830 0.88 MTNR1B (0.40) PAK1JAK3KMT2ACYP4F2CYP4A11
SCHEMBL983123 0.88 PARP1 (0.45) BTKMEN1KMT2AALDH1A1
SCHEMBL983559 0.87 PTK2 (0.39) MEN1KMT2AALDH1A1
SCHEMBL984599 0.86 BTK (0.39) BTK
SCHEMBL982008 0.86 BTK (0.40) BTKKMT2ACYP4F2CYP4A11

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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A PAK1 1999/4885JAK3 1732/4885BTK 1977/4885

“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.