SCHEMBL4984976

SCHEMBL4984976

Cc1cscc1-c1[c]ccc(N2CCN(C)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.41
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
PTK2B Q14289 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
ADRA2C P18825 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR3A P46098 1/20 0.37
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL15400291 0.77 MAPT (0.40) HRH4KDM4EGAAMAPTPTK2B
SCHEMBL2907550 0.75 GAA (0.59) HRH4KDM4EGAAMAPTPTK2B
SCHEMBL4101892 0.73 HRH4 (0.47) HRH4KDM4EGAAADRA2CNPC1
SCHEMBL2385705 0.73 HRH4 (0.64) HRH4KDM4EGAAMAPTPTK2B
SCHEMBL5884761 0.73 HTR3A (0.51) HRH4KDM4EGAAMAPTPTK2B
SCHEMBL4982315 0.71 CSF1R (0.43) HRH4KDM4EGAAMAPTPTK2B
SCHEMBL2992384 0.70 CSF1R (0.41) HRH4KDM4EGAAMAPTPTK2B
SCHEMBL2914092 0.70 KDM4E (0.43) KDM4EGAAMAPTPTK2BMAPK1
SCHEMBL2913662 0.70 SIRT6 (0.59) MAPTMAPK1HTR6ALDH1A1
SCHEMBL3587531 0.70 ADRA2C (0.49) HRH4KDM4EGAAMAPTPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526731-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2016-12-27 US disclosed
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 US disclosed
US-8933091-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 US disclosed
US-8697716-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2014-04-15 US disclosed
US-20140005225-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-01-02 US disclosed
US-20080051402-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2008-02-28 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 (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-20140005225-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 HRH4 1362/4885KDM4E 1145/4885GAA 969/4885
US-20080051402-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 HRH4 1362/4885KDM4E 1145/4885GAA 969/4885
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 HRH4 1362/4885KDM4E 1145/4885GAA 969/4885

“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.