SCHEMBL12468339

SCHEMBL12468339

CN1CCN(c2cccc(C(N)=O)c2NC2CCOCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 7/20 0.46
ALK Q9UM73 7/20 0.46
RET P07949 9/20 0.45
ROS1 P08922 9/20 0.45
FLT3 P36888 9/20 0.45
JAK1 P23458 5/20 0.43
JAK3 P52333 5/20 0.43
SYK P43405 2/20 0.42
PDE4B Q07343 1/20 0.42
JAK2 O60674 1/20 0.42
PARP1 P09874 1/20 0.42
CXCR2 P25025 1/20 0.41

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
SCHEMBL29229026 0.76 CXCR2 (0.51) JAK1JAK3PDE4BCXCR2
SCHEMBL17766551 0.75 JAK1 (0.53) JAK1JAK3PDE4BJAK2CXCR2
SCHEMBL29447250 0.75 ALK (0.53) EML4ALKRETROS1FLT3
SCHEMBL17848239 0.75 ALK (0.53) EML4ALKRETROS1FLT3
SCHEMBL3081421 0.73 NPC1 (0.70) PARP1
SCHEMBL18142882 0.72 F10 (0.39) EML4ALKRETROS1FLT3
SCHEMBL3683008 0.72 PDE4B (0.47) JAK1JAK3PDE4BCXCR2
SCHEMBL3436295 0.72 NPC1 (0.51) PARP1
SCHEMBL3434271 0.72 KDM4E (0.52) PARP1
SCHEMBL4781886 0.72 HSP90AA1 (0.44) JAK1JAK3PDE4BCXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233840-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES Eudendron S.r.l. (IT) 2017-10-25 EP claimed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 WO claimed
US-20200325122-A1 CRYSTALLINE FORM OF N-[5-(3,5-DIFLUORO-BENZYL)-1H-INDAZOL-3-YL]-4-(4-METHYL-PIPERAZIN-1-YL)-2-(TETRAHYDRO-PYRAN-4-YLAMINO)-BENZAMIDE NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-10-15 US disclosed
US-10398693-B2 Pharmaceutical compositions and dosage forms IGNYTA, INC. (US) 2019-09-03 US disclosed
US-20190022089-A1 PHARMACEUTICAL COMPOSITIONS AND DOSAGE FORMS IGNYTA, INC. (US) 2019-01-24 US disclosed
EP-3227276-A1 COMBINATIONS FOR THE TREATMENT OF NEUROBLASTOMA Ignyta, Inc. (US) 2017-10-11 EP disclosed
EP-3227686-A1 MULTIPLEXED IMMUNOHISTOCHEMISTRY ASSAYS FOR DIAGNOSIS AND TREATMENT OF CANCER Ignyta, Inc. (US) 2017-10-11 EP disclosed
WO-2016089760-A1 COMBINATIONS FOR THE TREATMENT OF NEUROBLASTOMA IGNYTA, INC. (US) 2016-06-09 WO disclosed
WO-2016089853-A1 MULTIPLEXED IMMUNOHISTOCHEMISTRY ASSAYS FOR DIAGNOSIS AND TREATMENT OF CANCER IGNYTA, INC. (US) 2016-06-09 WO disclosed
EP-2668184-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT Pierre Fabre Medicament (FR) 2013-12-04 EP disclosed
WO-2012101239-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2012-08-02 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 (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-10398693-B2 Pharmaceutical compositions and dosage forms CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS EML4 3790/4885ALK 1518/4885RET 2605/4885
US-20200325122-A1 CRYSTALLINE FORM OF N-[5-(3,5-DIFLUORO-BENZYL)-1H-INDAZOL-3-YL]-4-(4-METHYL-PIPERAZIN-1-YL)-2-(TETRAHYDRO-PYRAN-4-YLAMINO)-BENZAMIDE CSNK2A1, CSNK2A2, CSNK1A1 EML4 2409/4885ALK 932/4885RET 751/4885
US-20190022089-A1 PHARMACEUTICAL COMPOSITIONS AND DOSAGE FORMS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS EML4 3790/4885ALK 1518/4885RET 2605/4885

“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.