SCHEMBL4949084

SCHEMBL4949084

CCN1CCN(C(=O)c2ccc(Nc3cc(NC)ncn3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.51
BCR P11274 12/20 0.51
PRKAA2 P54646 1/20 0.43
GRM5 P41594 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MAP3K7 O43318 1/20 0.42
FES P07332 1/20 0.42
HCK P08631 1/20 0.42
FER P16591 1/20 0.42
GCK P35557 1/20 0.42
NR2C2 P49116 1/20 0.42
MAP4K2 Q12851 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL28821018 0.81 ABL1 (0.49) ABL1BCRGRM5ALDH1A1
SCHEMBL374708 0.80 HCK (0.58) ABL1BCRSMN1; SMN2HCK
SCHEMBL374474 0.80 METTL3 (0.47) ABL1BCRCDK9ALDH1A1SMN1; SMN2
SCHEMBL374182 0.75 EGFR (0.49) ABL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4724653 0.75 NPC1 (0.55) SMN1; SMN2
SCHEMBL4947956 0.74 KIT (0.46) ABL1BCRHCK
SCHEMBL22531924 0.73 CD274 (0.53)
SCHEMBL14659640 0.73 HCK (0.43) ABL1BCRCDK9ALDH1A1SMN1; SMN2
SCHEMBL374541 0.72 TNNI3K (0.47) ABL1BCRCDK9ALDH1A1MAP3K7
SCHEMBL4947981 0.72 HCK (0.51) ALDH1A1HCK

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
US-10624897-B2 Chlorobenzene substituted azaaryl compounds TAIPEI MEDICAL UNIVERSITY (TW) 2020-04-21 US disclosed
US-10624897-B2 Chlorobenzene substituted azaaryl compounds TAIPEI MEDICAL UNIVERSITY (TW) 2020-04-21 US disclosed
US-20190083499-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2019-03-21 US disclosed
US-20190083499-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2019-03-21 US disclosed
EP-3324970-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS Taipei Medical University (TW) 2018-05-30 EP disclosed
WO-2017015400-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2017-01-26 WO disclosed
EP-1976847-B1 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2015-06-17 EP disclosed
US-8759517-B2 Pyrirnidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8293746-B2 Pyrimidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors NOVARTIS AG 2008-12-18 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 (4 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-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors FGFR1, FGF1, FGF2 ABL1 9/4885BCR 356/4885PRKAA2 633/4885
US-10624897-B2 Chlorobenzene substituted azaaryl compounds MKI67, CTCF, CDKN1A ABL1 36/4885BCR 311/4885PRKAA2 2907/4885
US-20190083499-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS MKI67, CTCF, CDKN1A ABL1 36/4885BCR 311/4885PRKAA2 2907/4885
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors FGFR1, FGF1, FGF2 ABL1 9/4885BCR 356/4885PRKAA2 633/4885

“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.