SCHEMBL20314847

SCHEMBL20314847

CC(C)c1cc(O)cc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 12/20 0.50
▸ HSP90AB1 P08238 11/20 0.50
▸ MMP2 P08253 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ COMT P21964 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ METAP2 P50579 1/20 0.43
▸ METAP1 P53582 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ CCR1 P32246 3/20 0.42
▸ CCR8 P51685 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CCR5 P51681 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ COPS5 Q92905 1/20 0.41

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
SCHEMBL12179297 0.81 CCR1 (0.43) HSP90AA1MMP2TSHRCCR1CCR8
SCHEMBL12789731 0.81 TDP1 (0.53) HSP90AA1MMP2TSHRCCR1CCR8
SCHEMBL13193187 0.81 PSMD14 (0.59) HSP90AA1MMP2TSHRCOMTCCR1
SCHEMBL20392553 0.79 CCR1 (0.42) HSP90AA1MMP2TSHRCCR1CCR8
SCHEMBL12404704 0.79 CCR1 (0.46) HSP90AA1MMP2TSHRCCR1CCR8
SCHEMBL5544307 0.77 CCR1 (0.55) HSP90AA1HSP90AB1MMP2TSHRCHRM1
SCHEMBL18133833 0.76 HSP90AA1 (0.54) HSP90AA1HSP90AB1MMP2TSHRCHRM1
SCHEMBL25702612 0.76 HSP90AA1 (0.54) HSP90AA1HSP90AB1MMP2TSHRCHRM1
SCHEMBL84502 0.76 PSMD14 (0.55) HSP90AA1MMP2TSHRCHRM1COMT
SCHEMBL31490195 0.76 PSMD14 (0.55) HSP90AA1MMP2TSHRCHRM1COMT

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-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 — — EP disclosed
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
US-11021470-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof ARAXES PHARMA LLC (US) 2021-06-01 — — US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 — — 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-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HSP90AA1 3470/4885HSP90AB1 3084/4885MMP2 2064/4885
US-11021470-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof KRAS, NRAS, HRAS HSP90AA1 3976/4885HSP90AB1 3501/4885MMP2 2542/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS HSP90AA1 2062/4885HSP90AB1 1580/4885MMP2 1465/4885

“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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