SCHEMBL4066038

SCHEMBL4066038

Cc1cc(Nc2cc(NC[C@@H](O)CO)nc(N[C@@H](C)c3ccc(F)cc3)n2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 1.00
JAK2 O60674 5/20 0.52
JAK3 P52333 5/20 0.48
LIMK1 P53667 1/20 0.48
LIMK2 P53671 1/20 0.48
GRK6 P43250 7/20 0.47
AURKA O14965 2/20 0.47
CYP3A4 P08684 3/20 0.43
CYP2C8 P10632 3/20 0.43
CYP2C9 P11712 3/20 0.43
JAK1 P23458 3/20 0.43
TYK2 P29597 3/20 0.43
CYP2C19 P33261 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL4780657 0.87 NTRK1 (0.78) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4075967 0.87 NTRK1 (0.78) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4073788 0.87 NTRK1 (1.00) NTRK1JAK2JAK3
SCHEMBL3338612 0.80 NTRK1 (0.69) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL22535807 0.75 NTRK1 (0.60) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL22535467 0.74 NTRK1 (0.61) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4900453 0.74 NTRK1 (0.79) NTRK1JAK2JAK3
SCHEMBL4077514 0.74 NTRK1 (0.79) NTRK1JAK2JAK3
SCHEMBL22535416 0.73 NTRK1 (0.69) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4155679 0.73 NTRK1 (1.00) NTRK1JAK2JAK3

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
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain ASTRAZENECA AB (SE) 2009-01-01 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-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP NTRK1 3656/4885JAK2 1971/4885JAK3 1598/4885

“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.