SCHEMBL3852023

SCHEMBL3852023

CCc1cc(Nc2cc(Cl)nc(Cl)n2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK6 P43250 14/20 0.42
▸ AURKA O14965 4/20 0.42
▸ PAK4 O96013 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ NTRK1 P04629 2/20 0.40
▸ IGF1R P08069 3/20 0.40
▸ FGFR1 P11362 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ DAPK3 O43293 2/20 0.40
▸ PTK2 Q05397 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ LTK P29376 1/20 0.40

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
SCHEMBL5822082 0.98 GRK6 (0.42) GRK6AURKAPAK4PLK4NTRK1
SCHEMBL5768922 0.90 GRK6 (0.41) GRK6AURKAPAK4PLK4NTRK1
SCHEMBL5823577 0.90 GRK6 (0.41) GRK6AURKAPAK4PLK4NTRK1
SCHEMBL3852749 0.87 GRK6 (0.41) GRK6AURKAPAK4PLK4NTRK1
SCHEMBL3849950 0.87 GRK6 (0.42) GRK6AURKAPAK4PLK4NTRK1
SCHEMBL5823478 0.85 AURKA (0.40) GRK6AURKAPAK4PLK4NTRK1
SCHEMBL19514407 0.85 IGF1R (0.40) AURKAPAK4PLK4IGF1RFGFR1
SCHEMBL220647 0.83 PAK4 (0.57) AURKAPAK4PLK4NTRK1IGF1R
SCHEMBL3855238 0.81 AURKA (0.42) GRK6AURKAIGF1RFGFR1KDR
SCHEMBL3852107 0.79 ITK (0.45) GRK6AURKANTRK1IGF1RFGFR1

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-7579349-B2 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-25 — — US disclosed
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 — — EP disclosed
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity ASTRAZENECA AB (SE) 2007-02-15 — — US disclosed
EP-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 — — EP disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 — — 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-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity IGF1R, IGFBP1, GPR119 GRK6 362/4885AURKA 3354/4885PAK4 2162/4885

“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.

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