SCHEMBL22984964

SCHEMBL22984964

CC(Cc1cccc(F)c1F)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNA5 P22460 6/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNE1 P15382 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1A2 P05177 2/20 0.34
CHRM2 P08172 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CYP3A4 P08684 1/20 0.34
CXCR2 P25025 2/20 0.34
CCR7 P32248 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL24984061 0.77 SCN8A (0.42) TSHRNPC1RAB9AKCNA5KCNH2
SCHEMBL11319209 0.76 CXCR4 (0.41) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL19308899 0.76 TSHR (0.38) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL8092360 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL8252287 0.73 GABRA1 (0.54) CXCR2
SCHEMBL3249970 0.72 MAOA (0.50) TSHRSMN1; SMN2KCNA5KCNH2SLC6A2
SCHEMBL24845424 0.71 TSHR (0.48) TSHRSMN1; SMN2KCNA5KCNH2SLC6A2
SCHEMBL11327252 0.70 KDM4E (0.39) TSHRSMN1; SMN2KCNA5KCNH2SLC6A3
SCHEMBL27565475 0.70 GABRA1 (0.41) CXCR2CCR7ALDH1A1LMNA
SCHEMBL10247782 0.69 KCNA5 (0.52) TSHRSMN1; SMN2KCNA5KCNH2SLC6A2

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-10918622-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2021-02-16 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-10918622-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK TSHR 3509/4885NPC1 3295/4885RAB9A 2532/4885

“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.