Sugi Predict

Sugi Predict / Compounds / SCHEMBL1028320

SCHEMBL1028320

SCHEMBL1028320

CCCCCc1ccnc(Nc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 1/20 0.56
▸ SYK P43405 1/20 0.53
▸ AURKA O14965 4/20 0.51
▸ CDK2 P24941 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ PRKCD Q05655 2/20 0.51
▸ CDK1 P06493 2/20 0.51
▸ FGFR1 P11362 2/20 0.51
▸ FGFR3 P22607 2/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ IKBKB O14920 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ CHEK2 O96017 1/20 0.51
▸ PRKCG P05129 1/20 0.51
▸ LYN P07948 1/20 0.51
▸ KIT P10721 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ MARK3 P27448 1/20 0.51

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
SCHEMBL12609268 0.78 KCNH2 (0.53) SYKPDPK1KCNH2ADRB2ADRB1
SCHEMBL17561037 0.77 DNM2 (0.55) KCNH3MAPTKCNH2HTTNPSR1
SCHEMBL13431726 0.77 KCNH3 (0.56) KCNH3AURKACDK2MAPTPRKCD
SCHEMBL27946092 0.77 AURKA (0.51) SYKAURKACDK2MAPTPRKCD
SCHEMBL5962070 0.76 AURKA (0.59) SYKAURKACDK2MAPTPRKCD
SCHEMBL7468603 0.74 KCNH2 (0.51) MAPTKCNH2SMN1; SMN2
SCHEMBL1231968 0.73 KCNH2 (0.44) SYKKCNH2
SCHEMBL28547149 0.73 KCNH2 (0.44) KCNH2
SCHEMBL1231970 0.73 KMT2A (0.49) KCNH3KCNH2
SCHEMBL11298035 0.73 KCNH2 (0.54) MAPTRAB9AKCNH2SMN1; SMN2HSD17B10

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213415-A Macrocyclic pyrimidine derivatives 詹森药业有限公司 2022-03-22 — — CN disclosed
CN-106164075-B Macrocyclic pyrimidine derivatives 詹森药业有限公司 2021-11-26 — — CN disclosed
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 — — US disclosed
EP-3126364-B1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-02-07 — — EP disclosed
EP-3126365-B1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-01-10 — — EP disclosed
EP-3126365-A1 MACROCYLIC PYRIDINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2017-02-08 — — EP disclosed
EP-3126364-A1 MACROCYLIC PYRIMIDINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2017-02-08 — — EP disclosed
US-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 — — US disclosed
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 — — US disclosed
WO-2015150557-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 — — WO disclosed
US-8609836-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2013-12-17 — — US disclosed
US-8609836-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2013-12-17 — — US disclosed
EP-2283024-B1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-05-15 — — EP disclosed
US-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2013-02-28 — — US disclosed
US-8318929-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 — — US disclosed
US-8318929-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 — — US disclosed
EP-2283024-A1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2011-02-16 — — EP disclosed
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2011-01-13 — — US disclosed
US-20100331384-A1 GUANIDINE BASED COMPOUNDS UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2010-12-30 — — US disclosed
WO-2009112439-A1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-09-17 — — WO 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 (6 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-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES EEF2K, VPS26B, VPS28 KCNH3 3759/4885SYK 3942/4885AURKA 736/4885
US-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 KCNH3 2583/4885SYK 379/4885AURKA 69/4885
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES VPS26B, VPS4B, VPS28 KCNH3 3186/4885SYK 3454/4885AURKA 1089/4885
US-20100331384-A1 GUANIDINE BASED COMPOUNDS ADRB2, ADRA2A, ADRA2C KCNH3 299/4885SYK 3747/4885AURKA 3339/4885
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 KCNH3 2583/4885SYK 379/4885AURKA 69/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 KCNH3 3759/4885SYK 3942/4885AURKA 736/4885

“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.