SCHEMBL4883698

SCHEMBL4883698

C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)ncc1C#N)c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.76
JAK3 P52333 3/20 0.76
NTRK1 P04629 15/20 0.70
LIMK1 P53667 1/20 0.55
LIMK2 P53671 1/20 0.55
IGF1R P08069 3/20 0.55

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
SCHEMBL3338305 0.93 NTRK1 (0.78) JAK2JAK3NTRK1IGF1R
SCHEMBL2490059 0.86 JAK2 (1.00) JAK2JAK3NTRK1LIMK1LIMK2
SCHEMBL14840573 0.86 JAK2 (1.00) JAK2JAK3NTRK1LIMK1LIMK2
SCHEMBL2490060 0.86 JAK2 (1.00) JAK2JAK3NTRK1LIMK1LIMK2
SCHEMBL22535688 0.81 NTRK1 (0.76) JAK2JAK3NTRK1IGF1R
SCHEMBL2634279 0.81 NTRK1 (0.82) JAK2JAK3NTRK1IGF1R
SCHEMBL22535319 0.81 JAK2 (0.71) JAK2JAK3NTRK1LIMK1LIMK2
SCHEMBL4144686 0.81 NTRK1 (1.00) NTRK1IGF1R
SCHEMBL4160441 0.81 NTRK1 (0.82) JAK2JAK3NTRK1IGF1R
SCHEMBL4694139 0.81 NTRK1 (0.82) JAK2JAK3NTRK1IGF1R

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-20080194606-A1 Pyrazolyl-Amino-Substituted Pyrimidines and Their Use in the Treatment of Cancer ASTRAZENECA (SE) 2008-08-14 US claimed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors JAK1, JAK3, JAK2 JAK2 3/4885JAK3 2/4885NTRK1 4690/4885
US-20080194606-A1 Pyrazolyl-Amino-Substituted Pyrimidines and Their Use in the Treatment of Cancer TYMS, TYMP, DPYD JAK2 455/4885JAK3 356/4885NTRK1 4196/4885

“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.