SCHEMBL10061679

SCHEMBL10061679

C=C1NCc2c(cccc2N(C)C2CCN(C)CC2)N1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.41
HTR2A P28223 8/20 0.33
HTR2C P28335 8/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TIPARP Q7Z3E1 2/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL10061692 0.78 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL10061686 0.74 POLB (0.37) KDM4EPOLB
SCHEMBL10061668 0.74 FGFR1 (0.40) HTR2AHTR2CKDM4EPOLBTSHR
SCHEMBL21744416 0.71 CXCR4 (0.47) CXCR4HTR2AHTR2CPOLBTSHR
SCHEMBL12020800 0.68 HTR2A (0.45) HTR2AHTR2CKDM4EPOLBTSHR
SCHEMBL15227772 0.67 HTR2A (0.54) HTR2AHTR2CKDM4EPOLBTSHR
SCHEMBL13708519 0.66 HTR2A (0.45) HTR2AHTR2CKDM4EPOLBTSHR
SCHEMBL24050230 0.65 HTR2A (0.42) HTR2AHTR2CKDM4EPOLBTSHR
SCHEMBL12878072 0.64 HTR2A (0.47) HTR2AHTR2CKDM4EPOLBTSHR
SCHEMBL1197953 0.64 HTR2A (0.42) HTR2AHTR2CKDM4EPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 CXCR4 78/4885HTR2A 2908/4885HTR2C 3147/4885

“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.