SCHEMBL22360756

SCHEMBL22360756

O=Nc1ccc(-n2nnc3ccccc32)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
KCNMA1 Q12791 1/20 0.42
MAPK8 P45983 7/20 0.38
MAPK9 P45984 7/20 0.38
CCNE1 P24864 6/20 0.38
CDK2 P24941 6/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 3/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
SLC9A1 P19634 1/20 0.38
KEAP1 Q14145 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL12175465 0.77 RAB9A (0.61) RAB9ASMN1; SMN2TSHRKCNMA1MAPK8
SCHEMBL20156597 0.77 RAB9A (0.61) RAB9ASMN1; SMN2TSHRKCNMA1MAPK8
SCHEMBL11612094 0.77 RAB9A (0.61) RAB9ASMN1; SMN2TSHRKCNMA1MAPK8
SCHEMBL22360751 0.75 POLB (0.55) RAB9AMAPTPOLBHTT
SCHEMBL17681658 0.74 ALDH1A1 (0.58) RAB9AALDH1A1KMT2AMEN1CYP2C9
SCHEMBL678640 0.73 RAB9A (1.00) RAB9ASMN1; SMN2TSHRKCNMA1MAPK8
SCHEMBL30355239 0.73 RAB9A (1.00) RAB9ASMN1; SMN2TSHRKCNMA1MAPK8
SCHEMBL18517578 0.71 RAB9A (0.54) RAB9ASMN1; SMN2TSHRKCNMA1MAPK8
SCHEMBL22605443 0.71 RAB9A (0.64) RAB9ASMN1; SMN2TSHRMAPK8MAPK9
SCHEMBL17681659 0.71 RAB9A (0.54) RAB9ASMN1; SMN2TSHRKCNMA1MAPK8

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-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-15 US disclosed
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-20 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-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, AFF2, AFF4 RAB9A 1219/4885SMN1; SMN2 2278/4885TSHR 490/4885
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 RAB9A 1219/4885SMN1; SMN2 2278/4885TSHR 490/4885

“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.