SCHEMBL22833769

SCHEMBL22833769

COC(=O)c1ccc(C)c(C#Cc2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.68
KIT P10721 5/20 0.53
ALDH1A1 P00352 1/20 0.51
SLC2A1 P11166 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
ABL1 P00519 1/20 0.47
DDR1 Q08345 2/20 0.45
MAPT P10636 1/20 0.45
ALPL P05186 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ERN1 O75460 1/20 0.43
GRM5 P41594 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
SCHEMBL29506324 0.86 CSF1R (0.53) CSF1RKITALDH1A1SLC2A1CYP19A1
SCHEMBL24925304 0.86 CSF1R (0.53) CSF1RKITALDH1A1SLC2A1CYP19A1
SCHEMBL4063968 0.86 CSF1R (0.62) CSF1RKITALDH1A1ABL1DDR1
SCHEMBL24528502 0.86 CSF1R (0.51) CSF1RKITABL1DDR1
SCHEMBL22854604 0.85 CSF1R (0.68) CSF1RKITABL1DDR1GRM5
SCHEMBL22833738 0.85 CSF1R (0.61) CSF1RKITABL1DDR1PTGDR2
SCHEMBL11297061 0.84 CSF1R (0.67) CSF1RKITABL1DDR1
SCHEMBL24528528 0.84 ATM (0.52) CSF1RKITABL1DDR1
SCHEMBL3712736 0.83 ALDH1A1 (0.62) CSF1RALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL3838348 0.83 ALDH1A1 (0.61) CSF1RALDH1A1SLC2A1CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
WO-2022129914-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
EP-3986559-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-04-27 EP disclosed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed
WO-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 WO disclosed
WO-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 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 (1 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-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK CSF1R 4175/4885KIT 457/4885ALDH1A1 651/4885

“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.