SCHEMBL20766870

SCHEMBL20766870

O=C(Nc1ccc(F)cc1)c1cc(B(O)O)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
P2RX1 P51575 1/20 0.52
GRM5 P41594 2/20 0.50
PPARG P37231 1/20 0.50
HDAC8 Q9BY41 1/20 0.48
LMNA P02545 3/20 0.48
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
CSF1R P07333 1/20 0.46
CXCR1 P25024 2/20 0.45
CXCR2 P25025 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL30566676 1.00 MAPK1 (0.54) MAPK1HTTRAB9AP2RX1GRM5
SCHEMBL21630009 0.83 MEN1 (0.48) MAPK1HTTRAB9AP2RX1HDAC8
SCHEMBL20766814 0.80 HDAC1 (0.53) RAB9AHDAC8ALDH1A1TAS1R3TAS1R1
SCHEMBL18160487 0.79 RAB9A (0.56) MAPK1HTTRAB9AP2RX1GRM5
SCHEMBL3441208 0.79 MAPK1 (0.56) MAPK1HTTRAB9AP2RX1GRM5
SCHEMBL18160382 0.79 F10 (0.62) MAPK1HTTRAB9AP2RX1GRM5
SCHEMBL2560439 0.79 FADS1 (0.58) HTTRAB9AHDAC8LMNAALDH1A1
Hydrochloric Acid SCHEMBL18146958 0.78 RAB9A (0.55) MAPK1HTTRAB9AP2RX1GRM5
SCHEMBL21021112 0.77 RAB9A (0.54) MAPK1HTTRAB9AP2RX1GRM5
SCHEMBL2571879 0.75 MITF (0.62) MAPK1HTTRAB9AP2RX1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384283-B Therapeutic heterocyclic compounds 吉利德科学公司 2023-08-15 CN disclosed
US-11229638-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2022-01-25 US disclosed
US-11186579-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2021-11-30 US disclosed
US-11040033-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2021-06-22 US disclosed
EP-3817818-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-05-12 EP disclosed
CN-112384283-A Therapeutic heterocyclic compounds 吉利德科学公司 2021-02-19 CN disclosed
US-20200316035-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-10-08 US disclosed
EP-3672970-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS Gilead Sciences, Inc. (US) 2020-07-01 EP disclosed
CN-111051305-A Therapeutic heterocyclic compounds 吉利德科学公司 2020-04-21 CN disclosed
US-20200031834-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-01-30 US disclosed
US-20190192504-A1 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. 2019-06-27 US disclosed
WO-2019040102-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2019-02-28 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 (6 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-11229638-B2 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 MAPK1 4466/4885HTT 1407/4885RAB9A 1403/4885
US-20190192504-A1 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 MAPK1 4466/4885HTT 1407/4885RAB9A 1403/4885
US-11040033-B2 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 MAPK1 4466/4885HTT 1407/4885RAB9A 1403/4885
US-11186579-B2 Therapeutic heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MAPT, SLC10A1 MAPK1 3295/4885HTT 59/4885RAB9A 879/4885
US-20200316035-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS SDHA, CYP11B2, ABCB1 MAPK1 4466/4885HTT 1407/4885RAB9A 1403/4885
US-20200031834-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MAPT, SLC10A1 MAPK1 3295/4885HTT 59/4885RAB9A 879/4885

“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.