SCHEMBL984599

SCHEMBL984599

N[C@H]1CC[C@H](NC(=O)c2c[nH]c3c(-c4ccccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.39
SMYD3 Q9H7B4 5/20 0.37
PBK Q96KB5 3/20 0.36
KDM1A O60341 1/20 0.35
MRGPRX1 Q96LB2 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
SCHEMBL982008 0.91 BTK (0.40) BTKMRGPRX1
SCHEMBL981859 0.91 SMYD3 (0.41) BTKSMYD3PBKKDM1A
SCHEMBL984182 0.91 SMYD3 (0.41) BTKSMYD3PBKKDM1A
SCHEMBL983264 0.90 BTK (0.40) BTKMRGPRX1
SCHEMBL983586 0.90 BTK (0.35) BTKMRGPRX1
SCHEMBL983559 0.90 PTK2 (0.39) PBKKDM1AMRGPRX1
SCHEMBL985596 0.90 SMYD3 (0.41) BTKSMYD3PBKKDM1A
Hydrochloric Acid SCHEMBL985170 0.89 SMYD3 (0.40) BTKSMYD3PBKKDM1A
SCHEMBL983256 0.88 BTK (0.42) BTKMRGPRX1
SCHEMBL983145 0.88 BTK (0.44) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BTK 1977/4885SMYD3 1287/4885PBK 4836/4885

“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.