SCHEMBL2627083

SCHEMBL2627083

CC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.85
▸ KCNH2 Q12809 3/20 0.85
▸ JAK2 O60674 1/20 0.85
▸ LCK P06239 1/20 0.85
▸ YES1 P07947 1/20 0.85
▸ LYN P07948 1/20 0.85
▸ FGR P09769 1/20 0.85
▸ SRC P12931 1/20 0.85
▸ PRKCA P17252 1/20 0.85
▸ FLT3 P36888 1/20 0.85
▸ ZAP70 P43403 1/20 0.85
▸ MAP3K9 P80192 1/20 0.85
▸ PAK5 Q9P286 1/20 0.85

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
Acetic Acid SCHEMBL15255188 0.93 SYK (0.93) SYKKCNH2JAK2LCKYES1
SCHEMBL900582 0.92 SYK (1.00) SYKKCNH2JAK2LCKYES1
SCHEMBL899872 0.92 SYK (1.00) SYKKCNH2JAK2LCKYES1
SCHEMBL14977351 0.92 SYK (1.00) SYKKCNH2JAK2LCKYES1
SCHEMBL1353814 0.92 SYK (1.00) SYKKCNH2JAK2LCKYES1
SCHEMBL1352147 0.92 SYK (1.00) SYKKCNH2JAK2LCKYES1
SCHEMBL13624896 0.92 SYK (1.00) SYKKCNH2JAK2LCKYES1
Hydrochloric Acid SCHEMBL900878 0.91 SYK (0.98) SYKKCNH2JAK2LCKYES1
Hydrochloric Acid SCHEMBL29392320 0.91 SYK (0.98) SYKKCNH2JAK2LCKYES1
SCHEMBL2627078 0.91 SYK (0.86) SYKKCNH2JAK2LCKYES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579320-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2017-02-28 — — US disclosed
US-20160009694-A1 CYCLOHEXANEDIAMINE COMPOUNDS AND METHODS FOR THEIR PREPARATION ALEXION PHARMACEUTICALS, INC. 2016-01-14 — — US disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 — — US disclosed
US-8952027-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-10 — — US disclosed
US-20130252917-A1 COMBINATION THERAPY OF 4-(3-(2H-1,2,3-TRIAZO-2-YL)PHENYLAMINO)-2-((1R,2S)-2-AMINOCYCLOHEXYLAMINO)PYRIMIDINE-5-CARBOXAMIDE AND FLUDARABINE PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-26 — — US disclosed
US-20130244963-A1 COMBINATION THERAPY WITH 4-(3-(2H-1,2,3-TRIAZOL-2-YL)PHENYLAMINO)-2-((1R,2S)-2-AMINOCYCLOHEXYLAMINO)PYRIMIDINE-5-CARBOXAMIDE PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-19 — — US disclosed
US-20130165431-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 — — US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 — — US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 — — US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 — — US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 — — US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 — — 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 (8 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-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 SYK 1/4885KCNH2 2494/4885JAK2 4/4885
US-20130252917-A1 COMBINATION THERAPY OF 4-(3-(2H-1,2,3-TRIAZO-2-YL)PHENYLAMINO)-2-((1R,2S)-2-AMINOCYCLOHEXYLAMINO)PYRIMIDINE-5-CARBOXAMIDE AND FLUDARABINE BCL9, BCL9L, MCL1 SYK 101/4885KCNH2 2098/4885JAK2 137/4885
US-20130244963-A1 COMBINATION THERAPY WITH 4-(3-(2H-1,2,3-TRIAZOL-2-YL)PHENYLAMINO)-2-((1R,2S)-2-AMINOCYCLOHEXYLAMINO)PYRIMIDINE-5-CARBOXAMIDE SYK, BCL9L, BCL9 SYK 1/4885KCNH2 474/4885JAK2 11/4885
US-20130165431-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 SYK 1/4885KCNH2 2494/4885JAK2 4/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 SYK 1/4885KCNH2 2494/4885JAK2 4/4885
US-20160009694-A1 CYCLOHEXANEDIAMINE COMPOUNDS AND METHODS FOR THEIR PREPARATION SYK, BTK, LCK SYK 1/4885KCNH2 2051/4885JAK2 86/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 SYK 1/4885KCNH2 2494/4885JAK2 4/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 SYK 1/4885KCNH2 2494/4885JAK2 4/4885

“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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