SCHEMBL27156530

SCHEMBL27156530

Cc1cc2c(cc1[N+](=O)[O-])C(=O)N(C)CC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ GRM5 P41594 1/20 0.41
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36

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
SCHEMBL30242496 0.84 MEN1 (0.49) MEN1KMT2AGRM5ALDH1A1HTR2A
SCHEMBL29771862 0.84 KMT2A (0.49) MEN1KMT2AGRM5ALDH1A1HTR2A
SCHEMBL28929559 0.84 MEN1 (0.49) MEN1KMT2AGRM5ALDH1A1HTR2A
SCHEMBL2205991 0.82 MEN1 (0.69) MEN1KMT2AGRM5ALDH1A1
SCHEMBL30242551 0.82 MEN1 (0.69) MEN1KMT2AGRM5ALDH1A1
SCHEMBL8227244 0.81 MEN1 (0.62) MEN1KMT2AGRM5
SCHEMBL25947319 0.81 MEN1 (0.46) MEN1KMT2AGRM5HTR2AHTR2C
SCHEMBL29771861 0.78 MEN1 (0.52) MEN1KMT2AGRM5ALDH1A1
SCHEMBL1025369 0.76 ALDH1A1 (0.40) HPGDALDH1A1CYP3A4TSHRRECQL
SCHEMBL5986824 0.75 MEN1 (0.55) MEN1KMT2AGRM5

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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 — — US disclosed
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF RAPT THERAPEUTICS, INC. 2022-09-29 — — US disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 — — 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 (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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK MEN1 4170/4885KMT2A 1676/4885GRM5 2811/4885
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, MCL1, DTYMK MEN1 4170/4885KMT2A 1676/4885GRM5 2811/4885

“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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