SCHEMBL19966901

SCHEMBL19966901

CC(C)(C)c1c2n(c3cc(Cl)ccc13)CCOC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
MAT2A P31153 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL19960990 0.85 KCNQ2 (0.34) MAPTMAPK1TP53KDM4EKMT2A
SCHEMBL18202258 0.82 HTR2A (0.45) MAPTATMMAPK1TP53HTT
SCHEMBL19960978 0.80 HTR2A (0.36) MAPTATMHTTKDM4ETSHR
SCHEMBL19960991 0.76 PER2 (0.44) KDM4ESMN1; SMN2
SCHEMBL18540624 0.73 HTR2A (0.58) MAPTATMMAPK1TP53HTT
SCHEMBL18202370 0.67 MAT2A (0.32) MAPTATMMAPK1TP53HTT
SCHEMBL19960985 0.67 LMNA (0.37) MAPTKDM4EL3MBTL1MEN1KMT2A
SCHEMBL19921327 0.66 HTR2A (0.56) MAPTATMMAPK1TP53HTT
SCHEMBL18527235 0.63 HTR2A (0.56) MAPTATMMAPK1TP53HTT
SCHEMBL30609902 0.63 HSD17B10 (0.39) MAPTATMMAPK1TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 MAPT 3083/4885ATM 188/4885MAPK1 91/4885

“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.