SCHEMBL23405993

SCHEMBL23405993

O=C(Nc1ncc(-c2cccnc2)cn1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
CYP11B1 P15538 2/20 0.62
CYP11B2 P19099 2/20 0.62
ABL1 P00519 3/20 0.57
PDGFRB P09619 2/20 0.57
BCR P11274 2/20 0.57
PDGFRA P16234 1/20 0.57
DYRK1A Q13627 2/20 0.57
CLK1 P49759 1/20 0.57
DEGS1 O15121 1/20 0.53
HDAC1 Q13547 2/20 0.53
KDR P35968 1/20 0.53
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
ABCB1 P08183 3/20 0.52
HDAC2 Q92769 1/20 0.52
NTRK1 P04629 1/20 0.51
EPHX2 P34913 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL29743850 0.85 DEGS1 (0.73) LMNACYP11B1CYP11B2DYRK1ACLK1
SCHEMBL23405953 0.85 DEGS1 (0.73) LMNACYP11B1CYP11B2DYRK1ACLK1
SCHEMBL14082509 0.82 CYP11B1 (0.72) LMNACYP11B1CYP11B2ABL1PDGFRB
SCHEMBL20653088 0.82 CYP11B1 (0.72) LMNACYP11B1CYP11B2ABL1PDGFRB
SCHEMBL29744015 0.82 CYP11B1 (0.72) LMNACYP11B1CYP11B2ABL1PDGFRB
SCHEMBL14527311 0.80 MKNK1 (0.66) LMNACYP11B1CYP11B2ABL1BCR
SCHEMBL29743951 0.80 PTPN1 (0.73) LMNACYP11B1CYP11B2ABL1PDGFRB
SCHEMBL20653227 0.80 PTPN1 (0.73) LMNACYP11B1CYP11B2ABL1PDGFRB
SCHEMBL20653084 0.79 LMNA (0.68) LMNACYP11B1CYP11B2ABL1PDGFRB
SCHEMBL29743884 0.79 LMNA (0.68) LMNACYP11B1CYP11B2ABL1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377436-B2 EAAT2 enhancing molecules THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-07-05 US disclosed
US-11377436-B2 EAAT2 enhancing molecules THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-07-05 US disclosed
US-20210163440-A1 EAAT2 ENHANCING MOLECULES BRIGHAM & WOMENS HOSPITAL INC (US) 2021-06-03 US disclosed
US-20210163440-A1 EAAT2 ENHANCING MOLECULES BRIGHAM & WOMENS HOSPITAL INC (US) 2021-06-03 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-20210163440-A1 EAAT2 ENHANCING MOLECULES SLC1A2, SLC1A1, SLC1A3 LMNA 4504/4885CYP11B1 2145/4885CYP11B2 1678/4885
US-11377436-B2 EAAT2 enhancing molecules SLC1A2, SLC1A1, SLC1A3 LMNA 4504/4885CYP11B1 2145/4885CYP11B2 1678/4885

“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.