SCHEMBL13387645

SCHEMBL13387645

CC1CC(Cl)=NN1c1nc2c(s1)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 3/20 0.36
▸ FBP1 P09467 2/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ TSHR P16473 1/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ RET P07949 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX12 P18054 1/20 0.31

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
Evandamine SCHEMBL6009808 0.83 APOBEC3A (0.42) PDK1FBP1APOBEC3AAPOBEC3GTSHR
SCHEMBL10894284 0.76 DRD3 (0.33) PDK1FBP1APOBEC3AAPOBEC3GTSHR
SCHEMBL10891246 0.73 GAA (0.40) TSHRMEN1ALDH1A1LMNAGAA
SCHEMBL10891333 0.72 TSHR (0.38) TSHRMEN1ALDH1A1LMNAGAA
SCHEMBL1891504 0.66 APOBEC3A (0.42) PDK1FBP1APOBEC3AAPOBEC3GTSHR
SCHEMBL16695138 0.64 SMN1; SMN2 (0.53) PDK1FBP1APOBEC3AAPOBEC3GTSHR
SCHEMBL10891545 0.64 ALDH1A1 (0.36) TSHRMEN1ALDH1A1LMNAGAA
SCHEMBL10890556 0.63 MAPT (0.40) APOBEC3AAPOBEC3GTSHRJAK2MAP4K4
SCHEMBL12210600 0.63 PDK1 (0.54) PDK1FBP1APOBEC3AAPOBEC3GTSHR
SCHEMBL10893459 0.62 APOBEC3A (0.49) PDK1FBP1APOBEC3AAPOBEC3GTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705160-B2 Method for preparing 3-halo-4,5-dihydro-1H-pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-27 — — US disclosed
US-7705160-B2 Method for preparing 3-halo-4,5-dihydro-1H-pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-27 — — US disclosed
US-20080108821-A1 Method for preparing 3-halo-4,5-dihydro-1H-pyrazoles FMC CORPORATION 2008-05-08 — — US disclosed
US-20080108821-A1 Method for preparing 3-halo-4,5-dihydro-1H-pyrazoles FMC CORPORATION 2008-05-08 — — 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 (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-20080108821-A1 Method for preparing 3-halo-4,5-dihydro-1H-pyrazoles HAX1, CXCR1, H1-4 PDK1 968/4885FBP1 2677/4885APOBEC3A 1239/4885

“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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