SCHEMBL17546405

SCHEMBL17546405

CNC(=O)c1cc(C#N)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
GRM5 P41594 3/20 0.49
TRPA1 O75762 2/20 0.48
VNN1 O95497 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KAT6A Q92794 1/20 0.43
HTT P42858 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
MAP2K1 Q02750 2/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL1417563 0.87 KMT2A (0.56) GAATRPA1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1477123 0.84 GRM5 (0.48) GAAGRM5TRPA1VNN1PIK3CA
SCHEMBL1692766 0.83 GRM5 (0.49) GRM5TRPA1VNN1ALDH1A1SMN1; SMN2
SCHEMBL20812515 0.83 GRM5 (0.46) GRM5TRPA1VNN1ALDH1A1SMN1; SMN2
SCHEMBL19249058 0.83 TRPA1 (0.57) GAAGRM5TRPA1ALDH1A1SMN1; SMN2
SCHEMBL17489498 0.81 EGLN1 (0.43) GRM5ALDH1A1TMPRSS4PKM
SCHEMBL7213897 0.81 GRM5 (0.46) GAAGRM5TRPA1VNN1ALDH1A1
SCHEMBL30200709 0.80 GRM5 (0.46) GAAGRM5TRPA1VNN1ALDH1A1
SCHEMBL2033094 0.80 BRAF (0.42) GAAALDH1A1MEN1KMT2ATMPRSS4
SCHEMBL3820471 0.80 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TMPRSS4MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-06-05 US disclosed
CN-114206870-B Tricyclic AKR1C 3-dependent KARS inhibitors 诺华股份有限公司 2024-09-03 CN disclosed
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-08-08 US disclosed
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors NOVARTIS AG (CH) 2024-04-30 US disclosed
EP-4349839-A2 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS Novartis AG (CH) 2024-04-10 EP disclosed
EP-4013500-B1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS AG (CH) 2023-10-25 EP disclosed
US-20220315582-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-10-06 US disclosed
EP-4013500-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS Novartis AG (CH) 2022-06-22 EP disclosed
CN-114206870-A Tricyclic AKR1C3 dependent KARS inhibitors 诺华股份有限公司 2022-03-18 CN disclosed
WO-2021005586-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS AG (CH) 2021-01-14 WO disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 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 (6 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-20220315582-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 GAA 541/4885GRM5 2894/4885TRPA1 4355/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA GAA 924/4885GRM5 622/4885TRPA1 2838/4885
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 GAA 541/4885GRM5 2894/4885TRPA1 4355/4885
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors AKR1C2, AKR1B1, AKR1C1 GAA 541/4885GRM5 2894/4885TRPA1 4355/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA GAA 924/4885GRM5 622/4885TRPA1 2838/4885
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 GAA 541/4885GRM5 2894/4885TRPA1 4355/4885

“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.