SCHEMBL24229756

SCHEMBL24229756

c1ccc(COc2ccc3c(c2)CN(c2nc4ccccc4[nH]2)CC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.56
▸ HDAC11 Q96DB2 3/20 0.56
▸ HRH3 Q9Y5N1 8/20 0.53
▸ CYP2D6 P10635 3/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ MGLL Q99685 3/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43

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
SCHEMBL24229699 0.89 HRH3 (0.48) HDAC6HDAC11HRH3CYP2D6HRH1
SCHEMBL23771247 0.78 HDAC11 (0.63) HDAC6HDAC11HRH1BCHEACHE
SCHEMBL24229463 0.73 BRAF (0.59) HDAC6HDAC11
SCHEMBL3089244 0.73 HRH3 (0.74) HRH3CYP2D6HRH1
SCHEMBL29052789 0.71 HRH3 (0.48) HRH3CYP2D6HRH1
SCHEMBL6188078 0.71 F10 (0.67) —
SCHEMBL24229494 0.71 HRH3 (0.54) HDAC6HRH3CYP2D6HRH1
SCHEMBL22639959 0.71 NPSR1 (0.64) HDAC6HDAC11
Hydrochloric Acid SCHEMBL6190611 0.71 F10 (0.68) —
SCHEMBL5450398 0.70 HRH3 (1.00) HRH3CYP2D6HRH1

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-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 — — US disclosed
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 — — US disclosed
CN-116601150-A Fused bicyclic RAF inhibitors and methods of use thereof 爵士制药爱尔兰有限公司 2023-08-15 — — CN disclosed
WO-2022023447-A2 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-02-03 — — WO disclosed
US-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2022-02-03 — — 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 (2 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-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF BRAF, RAF1, NRAS HDAC6 948/4885HDAC11 720/4885HRH3 3556/4885
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS HDAC6 948/4885HDAC11 720/4885HRH3 3556/4885

“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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