SCHEMBL4289979

SCHEMBL4289979

CC1(C)CN(Cc2ccc(N)cc2)CCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CXCR3 P49682 1/20 0.39
IDH1 O75874 1/20 0.39
CXCR4 P61073 9/20 0.38
MEN1 O00255 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2C P18825 1/20 0.38
CCR2 P41597 1/20 0.38
CXCL12 P48061 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
CYP3A4 P08684 2/20 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
SCHEMBL20803931 0.85 IDH1 (0.46) ALDH1A1IDH1CXCR4MEN1CHRM2
SCHEMBL3134881 0.84 SIGMAR1 (0.56) LMNAALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL3318612 0.81 IDH1 (0.38) LMNAIDH1CXCR4MEN1KMT2A
SCHEMBL3399535 0.81 ALDH1A1 (0.49) LMNAALDH1A1CXCR3IDH1CXCR4
SCHEMBL3660373 0.81 LPL (0.39) IDH1CXCR4MEN1CHRM2CHRM1
SCHEMBL3318614 0.79 FGFR3 (0.41) IDH1CHRM2CHRM1HRH3
SCHEMBL3396475 0.79 KMT2A (0.45) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL27728777 0.77 ALDH1A1 (0.57) LMNAALDH1A1TSHR
SCHEMBL18291555 0.77 IDH1 (0.38) LMNAIDH1CXCR4MEN1KMT2A
SCHEMBL20333115 0.76 CHKA (0.50) LMNAALDH1A1CXCR3MEN1KMT2A

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
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 CN disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 CN disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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 (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 LMNA 3429/4885ALDH1A1 1389/4885CXCR3 1611/4885

“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.