SCHEMBL19318542

SCHEMBL19318542

Cc1ncccc1CNC(=O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.51
▸ NAMPT P43490 1/20 0.51
▸ P2RX7 Q99572 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ RIPK1 Q13546 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ F2 P00734 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL19318508 0.84 RIPK1 (0.42) CYP2C9NAMPTCA1CA2CA7
SCHEMBL13731868 0.83 CYP2C9 (0.59) CYP2C9NAMPTP2RX7MAPTPIK3CA
SCHEMBL19318510 0.83 RIPK1 (0.48) CA1CA2CA7CA14RIPK1
SCHEMBL30421108 0.82 CYP2C9 (0.54) CYP2C9NAMPTP2RX7PIK3CAF2
SCHEMBL19323056 0.82 CYP2C9 (0.54) CYP2C9NAMPTP2RX7PIK3CAF2
SCHEMBL19318497 0.82 MAPT (0.43) CA1CA2CA7CA14RIPK1
SCHEMBL20887416 0.82 CYP2C9 (0.49) CYP2C9NAMPTP2RX7PIK3CAF2
SCHEMBL19318504 0.81 RIPK1 (0.43) CYP2C9NAMPTCA1CA2CA7
SCHEMBL19318500 0.81 SLC13A5 (0.48) KMT2ALMNA
SCHEMBL19319062 0.81 KMT2A (0.53) RIPK1MAPTMEN1KMT2A

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-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 — — US disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 — — US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 — — US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 — — US disclosed
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
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 (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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CYP2C9 4761/4885NAMPT 1973/4885P2RX7 4812/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC CYP2C9 519/4885NAMPT 331/4885P2RX7 1052/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP CYP2C9 4603/4885NAMPT 1992/4885P2RX7 4802/4885

“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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