SCHEMBL19788775

SCHEMBL19788775

Cn1nc(NC(=O)C(F)(F)F)c2c(Cl)ccc(C(C)(C)C)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CHUK O15111 1/20 0.39
▸ CNR2 P34972 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ PDK1 Q15118 3/20 0.32
▸ PDK2 Q15119 3/20 0.32
▸ PDK3 Q15120 3/20 0.32
▸ PDK4 Q16654 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19788827 0.89 CNR2 (0.35) MAPTKMT2ANPC1RAB9ACNR2
SCHEMBL20079064 0.86 ALDH1A1 (0.41) MAPTKMT2ANPC1RAB9ACNR2
SCHEMBL16006518 0.85 MAPT (0.44) MAPTKMT2ANPC1RAB9ACHUK
SCHEMBL19788778 0.85 CDK8 (0.36) MAPTKMT2ANPC1RAB9ACNR2
SCHEMBL19788776 0.84 MAPK14 (0.34) MAPTKMT2ANPC1CNR2MAPK1
SCHEMBL22885167 0.84 MAPT (0.33) MAPTNPC1RAB9ACNR2MAPK1
SCHEMBL16158000 0.83 KMT2A (0.43) MAPTKMT2ANPC1RAB9ACHUK
SCHEMBL19788770 0.83 CYP3A4 (0.39) MAPTKMT2ANPC1RAB9ACNR2
SCHEMBL19788828 0.83 KDM4E (0.36) MAPTKMT2ANPC1CNR2MAPK14
SCHEMBL19788774 0.83 CASP1 (0.38) MAPTKMT2ANPC1CNR2MAPK14

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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 — — US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 — — US disclosed
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-02-09 — — US disclosed
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 — — US disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 — — 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 (4 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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 MAPT 170/4885KMT2A 3427/4885NPC1 50/4885
US-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 MAPT 1547/4885KMT2A 4689/4885NPC1 8/4885
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 MAPT 170/4885KMT2A 3427/4885NPC1 50/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 MAPT 170/4885KMT2A 3427/4885NPC1 50/4885

“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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