SCHEMBL4286904

SCHEMBL4286904

CN1C2CCC1CN(c1ccc(Nc3nccc(-c4ccc(N5CCOCC5)nc4)n3)cc1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 1/20 0.60
▸ JAK2 O60674 17/20 0.57
▸ JAK3 P52333 9/20 0.57
▸ JAK1 P23458 4/20 0.54
▸ TYK2 P29597 3/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ NCOR1 O75376 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ PDGFRB P09619 2/20 0.52
▸ FLT3 P36888 2/20 0.52
▸ IKBKB O14920 1/20 0.52
▸ KIT P10721 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ FLT1 P17948 1/20 0.52
▸ RPS6KB1 P23443 1/20 0.52
▸ FLT4 P35916 1/20 0.52
▸ KDR P35968 1/20 0.52

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
SCHEMBL4277766 0.88 ZAP70 (0.59) ZAP70JAK2JAK3PRKD3SMG1
SCHEMBL4277001 0.84 ZAP70 (0.56) ZAP70JAK2JAK3JAK1TYK2
SCHEMBL4276576 0.84 ZAP70 (0.56) ZAP70JAK2JAK3JAK1TYK2
SCHEMBL4278646 0.84 JAK2 (0.49) JAK2JAK3JAK1HDAC1
SCHEMBL4289317 0.80 ZAP70 (0.60) ZAP70JAK2JAK3SMG1
SCHEMBL4282226 0.80 JAK2 (0.59) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL4279895 0.79 JAK2 (0.72) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL15391103 0.78 ZAP70 (0.55) ZAP70JAK2JAK3JAK1TYK2
SCHEMBL4285952 0.78 ZAP70 (0.55) ZAP70JAK2JAK3JAK1TYK2
SCHEMBL4286096 0.78 ZAP70 (0.55) ZAP70JAK2JAK3JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017007658-A1 A COMBINATION FOR IMMUNE MEDIATED CANCER TREATMENT RIGEL PHARMACEUTICALS, INC. (US) 2017-01-12 — — WO claimed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 — — US disclosed
WO-2017007658-A1 A COMBINATION FOR IMMUNE MEDIATED CANCER TREATMENT RIGEL PHARMACEUTICALS, INC. (US) 2017-01-12 — — WO disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 — — EP disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 — — US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 — — US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 — — US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 — — US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 — — 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 (3 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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 24/4885JAK2 1/4885JAK3 3/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 43/4885JAK2 1/4885JAK3 3/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 49/4885JAK2 1/4885JAK3 3/4885

“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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