SCHEMBL2161124

SCHEMBL2161124

CCn1cnc(Nc2nc(N[C@@H](C)c3ncc(F)cc3F)nc(N3CCOCC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.51
JAK3 P52333 11/20 0.51
GRK6 P43250 1/20 0.43
MAPT P10636 4/20 0.40
KCNH2 Q12809 1/20 0.38
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.35

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
Hydrochloric Acid SCHEMBL2161004 0.99 JAK2 (0.50) JAK2JAK3GRK6MAPTKCNH2
Hydrochloric Acid SCHEMBL1396518 0.99 JAK2 (0.50) JAK2JAK3GRK6MAPTKCNH2
SCHEMBL2161322 0.90 JAK2 (0.53) JAK2JAK3MAPT
SCHEMBL1396349 0.90 JAK2 (0.53) JAK2JAK3MAPT
SCHEMBL2160773 0.90 JAK2 (0.53) JAK2JAK3MAPT
SCHEMBL2161224 0.88 JAK2 (0.49) JAK2JAK3GRK6
SCHEMBL1396078 0.84 GRK6 (0.48) JAK2JAK3GRK6
SCHEMBL2161185 0.84 GRK6 (0.48) JAK2JAK3GRK6
SCHEMBL2162006 0.82 JAK2 (0.47) JAK2JAK3
SCHEMBL13942616 0.81 JAK3 (0.75) JAK2JAK3

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-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 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-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS THPO, MPL, MCL1 JAK2 6/4885JAK3 188/4885GRK6 4230/4885

“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.