SCHEMBL24754877

SCHEMBL24754877

CC(C)Nc1cnc(C(F)(F)F)nc1Br

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.38
▸ IDH1 O75874 3/20 0.35
▸ IDH2 P48735 2/20 0.35
▸ TRPV3 Q8NET8 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ CCNE2 O96020 3/20 0.30
▸ CCNE1 P24864 3/20 0.30
▸ CDK2 P24941 3/20 0.30
▸ CDK4 P11802 2/20 0.30
▸ CCND1 P24385 2/20 0.30
▸ KCNH3 Q9ULD8 1/20 0.30

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
SCHEMBL24754875 0.74 TLR7 (0.40) TLR7IDH1IDH2TRPV3CYP1A2
SCHEMBL31689819 0.70 HTT (0.31) MALT1
SCHEMBL12890458 0.69 TLR7 (0.37) TLR7IDH1IDH2CYP1A2KDM4E
SCHEMBL20660792 0.67 HTT (0.33) —
SCHEMBL15635761 0.66 TLR7 (0.47) TLR7KDM4ECCNE2CCNE1CDK2
SCHEMBL25083859 0.66 MALT1 (0.54) TLR7IDH1IDH2MALT1CYP1A2
SCHEMBL18579888 0.65 P2RX7 (0.32) TRPV3
SCHEMBL12197726 0.64 RXRA (0.33) TRPV3CCNE2CCNE1CDK2CDK4
SCHEMBL3925140 0.63 HTT (0.36) KDM4E
SCHEMBL31511908 0.63 HTT (0.36) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230006152-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE CITY UNIVERSITY OF HONG KONG (HK) 2023-01-05 — — US disclosed
US-20220402955-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE CITY UNIVERSITY OF HONG KONG (HK) 2022-12-22 — — 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-20230006152-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE OCIAD1, OCIAD2, OPRD1 TLR7 3494/4885IDH1 1156/4885IDH2 976/4885
US-20220402955-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE OCIAD1, OCIAD2, OSTC TLR7 3124/4885IDH1 1214/4885IDH2 762/4885

“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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