SCHEMBL4098477

SCHEMBL4098477

O=C(Cl)Cl.c1ncc2[nH]ncc2n1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
NTRK1 P04629 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL8821 0.88
SCHEMBL29506231 0.88
Phosphine SCHEMBL27502321 0.86 DYRK1A (0.45) DYRK1AEGFR
SCHEMBL4222803 0.86 DYRK1A (0.45) DYRK1AEGFR
Bromide SCHEMBL26621962 0.86 DYRK1A (0.45) DYRK1AEGFR
Iodide SCHEMBL1296857 0.86 DYRK1A (0.45) DYRK1AEGFR
Ammonia Solution, Strong SCHEMBL28492555 0.86 DYRK1A (0.45) DYRK1AEGFR
Hydrochloric Acid SCHEMBL18284548 0.86 DYRK1A (0.45) DYRK1AEGFR
Acetamide SCHEMBL28053745 0.86 DYRK1A (0.37) DYRK1ANTRK1
Phosphoric Acid SCHEMBL12541220 0.85 DYRK1A (0.39) DYRK1ANTRK1EGFR

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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT DYRK1A 4838/4885NTRK1 4655/4885EGFR 4675/4885

“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.