SCHEMBL25322415

SCHEMBL25322415

C[C@H]1CCC(c2cncc(C(F)(F)F)c2)=NC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.41
▸ CYP11B2 P19099 9/20 0.39
▸ CYP11B1 P15538 4/20 0.39
▸ PARP10 Q53GL7 1/20 0.38
▸ PARP11 Q9NR21 1/20 0.38
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNB4 P30926 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ CHRNB1 P11230 1/20 0.33
▸ CHRNB3 Q05901 1/20 0.33
▸ GRIN2B Q13224 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PRKDC P78527 1/20 0.32

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
SCHEMBL30550980 1.00 IDH1 (0.41) IDH1CYP11B2CYP11B1PARP10PARP11
SCHEMBL25322417 1.00 IDH1 (0.41) IDH1CYP11B2CYP11B1PARP10PARP11
Trifluoroacetic Acid SCHEMBL25322918 0.91 CYP11B2 (0.39) IDH1CYP11B2CYP11B1PARP10PARP11
SCHEMBL25323877 0.81 NOS3 (0.37) CYP11B2CYP11B1PARP10PARP11CHRNB2
SCHEMBL30551484 0.81 NOS3 (0.37) CYP11B2CYP11B1PARP10PARP11CHRNB2
SCHEMBL25323875 0.81 NOS3 (0.37) CYP11B2CYP11B1PARP10PARP11CHRNB2
SCHEMBL25321886 0.80 HTR1A (0.44) —
SCHEMBL25321892 0.80 HTR1A (0.44) —
SCHEMBL24364317 0.79 NOTUM (0.37) NOS3NOS1NOS2
SCHEMBL25322604 0.78 IDH1 (0.38) IDH1CHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163048-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-22 — — US disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — 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-20250163048-A1 COMPOUNDS AND METHODS OF USE RB1, CYP1B1, REN IDH1 938/4885CYP11B2 11/4885CYP11B1 9/4885

“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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