SCHEMBL19318504

SCHEMBL19318504

CC(C)(C)C(=O)NCc1cccnc1CF

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.43
▸ MAPT P10636 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ PTGES O14684 4/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ ADORA2A P29274 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
SCHEMBL19323040 0.84 L3MBTL1 (0.48) LMNAMEN1KMT2ALIPGCARM1
SCHEMBL19318510 0.82 RIPK1 (0.48) RIPK1MAPTHDAC6LMNACA1
SCHEMBL19318508 0.81 RIPK1 (0.42) RIPK1MAPTHDAC6LMNACA1
SCHEMBL19318542 0.81 CYP2C9 (0.51) RIPK1MAPTHDAC6LMNACA1
SCHEMBL19319066 0.80 CD38 (0.46) RIPK1MAPTHDAC6LMNAPTGES
SCHEMBL25587529 0.79 ADORA2A (0.45) RIPK1MAPTHDAC6ADORA2AADORA1
SCHEMBL19318497 0.78 MAPT (0.43) RIPK1MAPTHDAC6CA1CA2
SCHEMBL25587531 0.78 ADORA2A (0.48) SSTR4ADORA2AADORA1
SCHEMBL19318500 0.77 SLC13A5 (0.48) LMNAKMT2ACARM1MAPK8
SCHEMBL19319062 0.77 KMT2A (0.53) RIPK1MAPTMEN1KMT2AL3MBTL1

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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 — — 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC RIPK1 2272/4885MAPT 3166/4885HDAC6 193/4885

“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.

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