SCHEMBL19788829

SCHEMBL19788829

Cn1nc(NC(=O)c2ccno2)c2c(Cl)ccc(C(C)(C)C)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ GAA P10253 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GFER P55789 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PYGM P11217 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ CSF1R P07333 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ POLB P06746 1/20 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
SCHEMBL16157859 0.86 GAA (0.46) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL17621604 0.85 KMT2A (0.43) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL24997588 0.83 MEN1 (0.32) KMT2AMEN1
SCHEMBL20079064 0.81 ALDH1A1 (0.41) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL19788775 0.80 MAPT (0.43) KMT2AMEN1GAAMAPTLMNA
SCHEMBL19788778 0.79 CDK8 (0.36) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL19788776 0.79 MAPK14 (0.34) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL19788827 0.78 CNR2 (0.35) KMT2AGAAALDH1A1MAPTLMNA
SCHEMBL22885167 0.78 MAPT (0.33) GAAALDH1A1MAPTLMNAMAPK1
SCHEMBL19788828 0.78 KDM4E (0.36) KMT2AMEN1GAAALDH1A1MAPT

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 5 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-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 (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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 KMT2A 3427/4885MEN1 4829/4885GAA 40/4885
US-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 KMT2A 4689/4885MEN1 2845/4885GAA 17/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 KMT2A 3427/4885MEN1 4829/4885GAA 40/4885

“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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