SCHEMBL19960993

SCHEMBL19960993

CC(C)(C)c1c2n(c3ccc(F)cc13)CCC2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PER2 O15055 12/20 0.41
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR6 P50406 4/20 0.36
CRY2 Q49AN0 4/20 0.35
CRY1 Q16526 3/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL18202165 0.80 HTR2C (0.41) PER2GAAMAPK1HTR6CRY2
SCHEMBL19960991 0.79 PER2 (0.44) PER2CRY2
SCHEMBL19960981 0.74 HTR2A (0.41) PER2HTR6HTR2C
SCHEMBL31487330 0.72 KMT2A (0.57) PER2GAAMAPK1CRY2
SCHEMBL31486817 0.72 KMT2A (0.57) PER2GAAMAPK1CRY2
SCHEMBL31487208 0.72 GAA (0.41) PER2GAAMAPK1HTR6CRY2
SCHEMBL31487166 0.70 GAA (0.55) PER2GAAMAPK1HTR6CRY2
SCHEMBL31487022 0.69 GAA (0.77) GAAMAPK1
SCHEMBL19930265 0.69 HRH1 (0.34) GAAMAPK1HTR6HTR2C
SCHEMBL31486784 0.68 KMT2A (0.51) PER2GAAMAPK1CRY2

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 PER2 4745/4885GAA 2332/4885MAPK1 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.