SCHEMBL3397376

SCHEMBL3397376

CCN1CCN(Cc2c(F)cc(Br)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.51
GAA P10253 1/20 0.47
DUSP3 P51452 3/20 0.44
PTPN5 P54829 3/20 0.44
PTPN11 Q06124 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
CHKA P35790 1/20 0.41
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
PDE2A O00408 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.38
GPR183 P32249 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4289837 0.86 CHKA (0.55) GAAALDH1A1KDM4ECHKATSHR
SCHEMBL2106701 0.83 ALDH1A1 (0.46) GFERALDH1A1KDM4ECHKATSHR
SCHEMBL1427472 0.81 ALDH1A1 (0.49) GFERALDH1A1KDM4ECHKATSHR
SCHEMBL4287610 0.81 KDM4E (0.39) GFERALDH1A1KDM4ECHKATSHR
SCHEMBL4296929 0.80 L3MBTL1 (0.51) CYP1A2CYP2C19ALDH1A1KDM4EKMT2A
SCHEMBL4048591 0.79 KDM4E (0.55) GAAALDH1A1KDM4EPOLBKMT2A
SCHEMBL2800744 0.79 CYP2A13 (0.51) CYP2C9ALDH1A1KDM4ETSHRKMT2A
SCHEMBL3397860 0.78 GFER (0.51) GFERGAADUSP3PTPN5PTPN11
SCHEMBL4293427 0.78 MBTD1 (0.41) ALDH1A1KDM4ECHKATSHRPOLB
SCHEMBL20965553 0.78 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 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 (1 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 GFER 3723/4885GAA 862/4885DUSP3 354/4885

“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.