SCHEMBL26229442

SCHEMBL26229442

CC(=O)Nc1ncnn2c(C(C)C)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ EGLN2 Q96KS0 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL23746987 0.62 KDR (0.45) EGFRKDRKMT2ARXFP1TSHR
SCHEMBL24239192 0.60 MAP4K4 (0.40) KDRNTRK1MAP4K4
SCHEMBL25219260 0.59 CHRNA7 (0.38) EGFRKDRMAP4K4
SCHEMBL25013926 0.59 RIPK1 (0.41) KDRMAP4K4
SCHEMBL23786397 0.59 YTHDC1 (0.37) TSHRALDH1A1NPC1RAB9AHPGD
SCHEMBL21011224 0.58 CDK1 (0.60) NPC1POLB
SCHEMBL25055275 0.57 L3MBTL1 (0.40) EGFRKDRCYP3A4CYP2C9CYP2C19
SCHEMBL23022737 0.57 L3MBTL1 (0.44) PKMEGLN2CYP3A4CYP2C9CYP2C19
SCHEMBL21711148 0.57 GAA (0.47) CYP3A4CYP2C19KMT2ACYP1A2MAPT
SCHEMBL8324829 0.57 KMT2A (0.49) CYP3A4KMT2AMAPTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-10-12 — — US disclosed
US-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-10-12 — — US disclosed
WO-2023168194-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO 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-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT PKM 2798/4885EGFR 3479/4885KDR 4681/4885

“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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