SCHEMBL12854540

SCHEMBL12854540

Cc1cc(Nc2ncc(C)c(Nc3ccc4c(n3)N(Cc3ccccn3)C(=O)C(F)(F)O4)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 10/20 0.40
▸ JAK3 P52333 4/20 0.40
▸ JAK2 O60674 3/20 0.40
▸ PTK2 Q05397 5/20 0.39
▸ PAK1 Q13153 1/20 0.35
▸ SYK P43405 2/20 0.35
▸ PLK4 O00444 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ STK16 O75716 1/20 0.35
▸ LATS1 O95835 1/20 0.35
▸ RET P07949 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MST1R Q04912 1/20 0.35
▸ TNK1 Q13470 1/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ MAP3K11 Q16584 1/20 0.35
▸ BRDT Q58F21 1/20 0.35
▸ ADCK1 Q86TW2 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
SCHEMBL14482276 0.91 JAK1 (0.44) JAK1JAK3JAK2PTK2PAK1
SCHEMBL3116796 0.81 JAK1 (0.44) JAK1JAK3JAK2PTK2PAK1
SCHEMBL3103946 0.80 JAK1 (0.46) JAK1JAK3JAK2PAK1SYK
SCHEMBL12854480 0.78 JAK1 (0.43) JAK1JAK3JAK2PAK1SYK
SCHEMBL3118461 0.77 JAK1 (0.48) JAK1JAK3JAK2PTK2PAK1
SCHEMBL3111670 0.77 JAK1 (0.58) JAK1JAK3JAK2PAK1SYK
SCHEMBL14553233 0.76 JAK1 (0.43) JAK1JAK3JAK2PAK1FLT3
SCHEMBL3114853 0.74 SYK (0.48) JAK1JAK3JAK2PAK1SYK
SCHEMBL3116801 0.73 JAK1 (0.41) JAK1JAK3JAK2PAK1SYK
SCHEMBL3120192 0.73 JAK1 (0.46) JAK1JAK3JAK2PTK2PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 — — US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 — — 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-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK JAK1 503/4885JAK3 1030/4885JAK2 994/4885

“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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