SCHEMBL29318773

SCHEMBL29318773

CC(C)(C)c1cc(C(=N)N)nc(C(=N)N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ SLC22A3 O75751 1/20 0.32
▸ PRSS1 P07477 2/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ C1S P09871 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
Hydrochloric Acid SCHEMBL30970037 0.98 HTR1D (0.44) HTR1DHTR1BGABRA1GABRB2GAA
SCHEMBL16978930 0.78 LMNA (0.48) HTR1DHTR1BGABRA1GABRB2GAA
SCHEMBL24121412 0.75 PRSS1 (0.52) GAAMAPTKDM4EALDH1A1PRSS1
SCHEMBL24506580 0.72 ALDH1A1 (0.37) HTR1DHTR1BGAAMAPTMEN1
SCHEMBL26128568 0.71 GABRA1 (0.41) GABRA1GABRB2GAAMAPTKDM4E
SCHEMBL14948629 0.71 ALOX15 (0.54) GABRA1GABRB2MAPTKDM4EALDH1A1
SCHEMBL13847259 0.71 HSP90AA1 (0.38) HTR1DHTR1BGAAHSP90AA1KMT2A
SCHEMBL24506792 0.70 HTR1D (0.33) HTR1DHTR1B
SCHEMBL24506568 0.70 ALDH1A1 (0.35) HTR1DHTR1BGABRA1GAAMAPT
SCHEMBL17876912 0.70 LMNA (0.39) PRSS1PRSS2C1SPRSS3F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds PFIZER INC. (US) 2025-10-16 — — US disclosed
WO-2025215579-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2025-10-16 — — WO disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 — — US disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 — — US disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 — — US disclosed
WO-2024127297-A1 3-FLUORO-4-HYDROXYBENZMIDE-CONTAINING INHIBITORS AND/OR DEGRADERS AND USES THEREOF PFIZER INC. (US) 2024-06-20 — — 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 HTR1D 899/4885HTR1B 343/4885GABRA1 1585/4885
US-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds HRH4, HNMT, NNT HTR1D 1539/4885HTR1B 2510/4885GABRA1 4615/4885

“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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