SCHEMBL2490728

SCHEMBL2490728

Fc1ccc(CNc2cccc(Nc3cc(C4CC4)[nH]n3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.64
PAK1 Q13153 2/20 0.51
PAK4 O96013 2/20 0.51
IGF1R P08069 5/20 0.50
NTRK3 Q16288 1/20 0.50
NTRK2 Q16620 1/20 0.50
NUAK1 O60285 1/20 0.49
DYRK3 O43781 1/20 0.48
JAK2 O60674 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48
MET P08581 1/20 0.48
ROS1 P08922 1/20 0.48
FGFR1 P11362 1/20 0.48
PRKACA P17612 1/20 0.48

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
SCHEMBL2491396 0.79 NTRK1 (0.73) NTRK1IGF1RJAK2
SCHEMBL25819008 0.78 NTRK1 (1.00) NTRK1PAK4IGF1RNTRK3NTRK2
SCHEMBL3129628 0.76 NUAK1 (0.60) NTRK1IGF1RNTRK3NTRK2NUAK1
SCHEMBL3424837 0.76 NTRK1 (0.60) NTRK1IGF1RNTRK3NTRK2NUAK1
SCHEMBL12973629 0.73 IGF1R (0.57) NTRK1PAK4IGF1RDYRK3JAK2
SCHEMBL3130134 0.73 NUAK1 (0.75) NTRK1PAK1IGF1RNUAK1GSK3B
SCHEMBL3137277 0.72 NUAK1 (0.56) NTRK1IGF1RNUAK1
SCHEMBL3136840 0.72 NUAK1 (0.54) NTRK1IGF1RNUAK1DYRK1ADYRK2
SCHEMBL22535487 0.72 NTRK1 (0.64) NTRK1IGF1RNTRK3NTRK2
SCHEMBL22535587 0.72 NTRK1 (0.64) NTRK1IGF1RNTRK3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383268-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2015-09-02 EP disclosed
US-8324252-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2012-12-04 US disclosed
EP-1846394-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-10-26 EP disclosed
EP-2164490-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. AstraZeneca AB (SE) 2010-03-24 EP disclosed
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US disclosed
WO-2008054292-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. ASTRAZENECA AB (SE) 2008-05-08 WO disclosed
US-20080108669-A1 Use 541 ASTRAZENECA AB (SE) 2008-05-08 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-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK NTRK1 86/4885PAK1 379/4885PAK4 777/4885
US-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 NTRK1 3837/4885PAK1 876/4885PAK4 1418/4885

“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.